| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:30:59 UTC |
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| Update Date | 2016-11-09 01:09:15 UTC |
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| Accession Number | CHEM003969 |
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| Identification |
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| Common Name | beta-Propiolactone |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- IARC Carcinogens Group 2B
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 1,3-Propiolactone | ChEBI | | 2-Oxetanone | ChEBI | | 3-Hydroxypropionic acid beta-lactone | ChEBI | | 3-Propanolide | ChEBI | | beta-Lactone hydracrylic acid | ChEBI | | beta-Propanoic acid lactone | ChEBI | | beta-Propiolakton | ChEBI | | beta-Propionolactone | ChEBI | | Betapron | ChEBI | | Betaprone | ChEBI | | Hydracrylic acid beta-lactone | ChEBI | | Propanolide | ChEBI | | Propiolactona | ChEBI | | Propiolactonum | ChEBI | | beta-Propiolactone | Kegg | | 3-Hydroxypropionate b-lactone | Generator | | 3-Hydroxypropionate beta-lactone | Generator | | 3-Hydroxypropionate β-lactone | Generator | | 3-Hydroxypropionic acid b-lactone | Generator | | 3-Hydroxypropionic acid β-lactone | Generator | | b-Lactone hydracrylate | Generator | | b-Lactone hydracrylic acid | Generator | | beta-Lactone hydracrylate | Generator | | Β-lactone hydracrylate | Generator | | Β-lactone hydracrylic acid | Generator | | b-Propanoate lactone | Generator | | b-Propanoic acid lactone | Generator | | beta-Propanoate lactone | Generator | | Β-propanoate lactone | Generator | | Β-propanoic acid lactone | Generator | | b-Propiolakton | Generator | | Β-propiolakton | Generator | | b-Propionolactone | Generator | | Β-propionolactone | Generator | | Hydracrylate b-lactone | Generator | | Hydracrylate beta-lactone | Generator | | Hydracrylate β-lactone | Generator | | Hydracrylic acid b-lactone | Generator | | Hydracrylic acid β-lactone | Generator | | b-Propiolactone | Generator | | Β-propiolactone | Generator | | Propiolactone | ChEBI | | beta Propiolactone | MeSH |
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| Chemical Formula | C3H4O2 |
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| Average Molecular Mass | 72.063 g/mol |
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| Monoisotopic Mass | 72.021 g/mol |
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| CAS Registry Number | 57-57-8 |
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| IUPAC Name | oxetan-2-one |
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| Traditional Name | β propiolactone |
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| SMILES | O=C1CCO1 |
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| InChI Identifier | InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2 |
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| InChI Key | VEZXCJBBBCKRPI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as beta propiolactones. These are organic compounds containing a four-member lactone (a cyclic ester). |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Lactones |
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| Sub Class | Beta propiolactones |
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| Direct Parent | Beta propiolactones |
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| Alternative Parents | |
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| Substituents | - Beta_propiolactone
- Oxetane
- Carboxylic acid ester
- Oxacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DB09348 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Propiolactone |
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| Chemspider ID | Not Available |
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| ChEBI ID | 49073 |
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| PubChem Compound ID | 2365 |
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| Kegg Compound ID | C19297 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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