methyl (2E)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-cyanoacrylate

HCID 796992

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Basic information

CAS: 107115-24-2
Standard SMILES: COC(=O)/C(C#N)=C/c1ccc(OC(C)=O)c(OC)c1
InChIKey: NBVRGELKMHKHPP-IZZDOVSWSA-N
Molecular formula: C14H13NO5
Average molar mass: 275.26 g/mol
Monoisotopic mass: 275.07937252

Names & identifiers

Preferred name: methyl (2E)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-cyanoacrylate
IUPAC: methyl (E)-3-(4-acetyloxy-3-methoxyphenyl)-2-cyanoprop-2-enoate

Names & synonyms

DTXSID301134631methyl (2E)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-cyanoacrylateAKOS000531705107115-24-2SR-01000317048SR-01000317048-12-Propenoic acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-2-cyano-, methyl ester, (E)-METHYL (2E)-3-[4-(ACETYLOXY)-3-METHOXYPHENYL]-2-CYANOPROP-2-ENOATE

Database identifiers

CAS: 107115-24-2
PubChem CID: 796992
DTXSID: DTXSID301134631

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 85.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 448

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