361172 <common-name>Methyl (e)-4-chloro-3-methoxybut-2-enoate</common-name> <description>Methyl (e)-4-chloro-3-methoxybut-2-enoate is a chemical compound with the formula C6H9ClO3. It has an average molecular weight of 164.59 g/mol.</description> <cas nil="true"/> <pubchem-id>6364655</pubchem-id> <chemical-formula>C6H9ClO3</chemical-formula> <weight>164.59</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">2026-09-01T09:57:00Z</created-at> <updated-at type="dateTime">2026-09-01T09:57:00Z</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>COC(=CC(=O)OC)CCl</moldb-smiles> <moldb-formula>C6H9ClO3</moldb-formula> <moldb-inchi>InChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3/b5-3+</moldb-inchi> <moldb-inchikey>JNYMRXDQVPIONI-HWKANZROSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">164.0240218</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.7</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>CHEM357065</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Methyl (e)-4-chloro-3-methoxybut-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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0068743</sync-id> <structure-inchikey>JNYMRXDQVPIONI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000004000004000000000000000000000000000000080000000000008000000000000000000000000000000000000000000000000000000022001000002300000000000000000000000000010000000040000000000000000000000000000000000000000000000000000040004000000004008080000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>80000000e000000000000002000000000000004000000200040000040045000000000800000000001000080000004200080000c00010400443000a0000080110000000000001000002000620100000000004000000200000020000009000c302000000002000000000040600000200080100004600411080000001000028044000004400000080000008800000010040002444000000004080000008000804100000000c00000000800002602100ac0000000000800000000000000000000000000040002000080000000000000000000000008400000000000080000000800040000000000000004000000002000000000004000080000000050020000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������(�������(�������h��������(�������(�������(�������`�������`������� ���������� ��(��� ��(��� ������� �B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:34Z</structure-indexed-at> </compound>