Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate

HCID 720064

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Basic information

CAS: 132464-93-8
Standard SMILES: CCOC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1
InChIKey: WQWLESVDQFOXPT-UXBLZVDNSA-N
Molecular formula: C13H13NO4
Average molar mass: 247.25 g/mol
Monoisotopic mass: 247.0844579

Names & identifiers

Preferred name: Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
IUPAC: ethyl (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Names & synonyms

ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate132464-93-8NSC-509508W9B75Z9N4RRefChem:108465713373-29-0ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateMFCD00136330ethyl (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acrylic acid ethyl esterEthyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)acrylateETHYL (E)-2-CYANO-3-(4-HYDROXY-3-METHOXYPHENYL)ACRYLATE

Show more names

NSC509508Ethyl alpha-cyano-4-hydroxy-3-methoxycinnamateethyl (E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoateSCHEMBL22897308BBL019019ETHYL VANILLYLIDENECYANOACETATESTK014458AKOS000486096

Database identifiers

CAS: 132464-93-8、13373-29-0
PubChem CID: 720064
UNII: W9B75Z9N4R
EC Number: 814-977-3
Nikkaji: J377.771E

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 79.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 368

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