alpha-Cyano-4-methoxycinnamic acid

HCID 736236

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Basic information

CAS: 14378-08-6
Standard SMILES: COc1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: KMHNRJDDHTZZDZ-RMKNXTFCSA-N
Molecular formula: C11H9NO3
Average molar mass: 203.19 g/mol
Monoisotopic mass: 203.05824315

Overview

See also: 2-Cyano-3-(4-methoxyphenyl)prop-2-enoic acid (annotation moved to).

Names & identifiers

Preferred name: alpha-Cyano-4-methoxycinnamic acid
IUPAC: (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid

Names & synonyms

1519-55-7alpha-Cyano-4-methoxycinnamic acid4-methoxybenzylidenecyanoacetic acid(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid14378-08-6(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid(E)-2-CYANO-3-(4-METHOXYPHENYL)ACRYLIC ACIDa-cyano-4-methoxycinnamic acidMFCD00051722(Z)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid2-cyano-3-(4-methoxyphenyl)acrylic acid|A-Cyano-4-methoxycinnamic acid

Show more names

NSC31629CHEMBL77524SCHEMBL782091BDBM4343|_-Cyano-4-methoxycinnamic acidKMHNRJDDHTZZDZ-RMKNXTFCSA-Nalpha-cyano 4-methoxycinnamic acidDTXSID201381906

Database identifiers

CAS: 14378-08-6、1519-55-7
PubChem CID: 736236
DTXSID: DTXSID201381906
ChEMBL: CHEMBL77524
Nikkaji: J1.191.226E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 70.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 305

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