Acetic acid, 1-cyanovinyl ester (CHEM068258)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 21:42:10 UTC | ||||||||
| Update Date | 2026-08-22 23:43:55 UTC | ||||||||
| Accession Number | CHEM068258 | ||||||||
| Identification | |||||||||
| Common Name | Acetic acid, 1-cyanovinyl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Acetic acid, 1-cyanovinyl ester belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C5H5N1O2 and an average molecular weight of 111.10 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C5H5N1O2 | ||||||||
| Average Molecular Mass | 111.100 g/mol | ||||||||
| Monoisotopic Mass | 111.032 g/mol | ||||||||
| CAS Registry Number | 3061-65-2 | ||||||||
| IUPAC Name | 1-cyanoethenyl acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)OC(=C)C#N | ||||||||
| InChI Identifier | InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3 | ||||||||
| InChI Key | LFSHREXVLSTLFB-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
