130548 <common-name>Diester of acrylic acid with 2--​isocyanato-2-methyl-1,3-propanediol</common-name> <description>Diester of acrylic acid with 2--​isocyanato-2-methyl-1,3-propanediol belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C11H13NO5 and an average molecular weight of 239.23 g/mol.</description> <cas>886577-76-0</cas> <pubchem-id>23117272</pubchem-id> <chemical-formula>C11H13NO5</chemical-formula> <weight>239.22</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-06T14:23:35Z</created-at> <updated-at type="dateTime">2026-08-26T20:56:00Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(COC(=O)C=C)(COC(=O)C=C)N=C=O</moldb-smiles> <moldb-formula>C11H13NO5</moldb-formula> <moldb-inchi>InChI=1S/C11H13NO5/c1-4-9(14)16-6-11(3,12-8-13)7-17-10(15)5-2/h4-5H,1-2,6-7H2,3H3</moldb-inchi> <moldb-inchikey>QASBHTCRFDZQAM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">239.227</moldb-average-mass> <moldb-mono-mass type="decimal">239.0793725</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM126441</chemdb-id> <dsstox-id>DTXSID801019373</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00127996</susdat-id> <iupac>(2-isocyanato-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Dicarboxylic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0187163</sync-id> <structure-inchikey>QASBHTCRFDZQAM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000000010000000000000004000040000000000000000000000000000000000000000800000000000200000000001000810000000000000000000000000000000000020000020000300000004000000000000000200010000000000000000000000020000000000000100000000000000800000000042004000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000040000000000000000020000000000000000000020000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEAAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAgIIACgAAAADAgYAKAAAAAMECAAoAAAAAwIGAGgAAAADAwEGAGgA AAADAgIGAGAAAAACAggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAaAAAAAMD AQYAaAAAAAMCAgcAKAAAAAMDBgAoAAAAAgQIACgAAAADAgsAAQABAgACAwAD BCAEBSgCBAYgBgcoAgEIAAgJAAkKIAoLKAIKDCAMDSgCAQ4ADg8oAg8QKAJC AAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:48:51Z</structure-indexed-at> </compound>