2-(Benzoylamino)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

HCID 6209844

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Basic information

CAS: 35150-10-8
Standard SMILES: COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)O)ccc1O
InChIKey: SSYWXIPQHQHKGX-UKTHLTGXSA-N
Molecular formula: C17H15NO5
Average molar mass: 313.3 g/mol
Monoisotopic mass: 313.09502258

Names & identifiers

Preferred name: 2-(Benzoylamino)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
IUPAC: (E)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

Names & synonyms

2-(benzoylamino)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid35150-10-8NSC140780SCHEMBL84249782-Propenoic acid, 2-(benzoylamino)-3-(4-hydroxy-3-methoxyphenyl)-AKOS000288317NSC-140780

Database identifiers

CAS: 35150-10-8
PubChem CID: 6209844

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 95.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 456

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