Molecule ID: 23844017

IUPAC Name: 3-(1-carboxyethenoxy)benzoic acid

Description: The molecule is a dicarboxylic acid that is benzoic acid in which the hydrogen at position 3 is replaced by a (1-carboxyvinyl)oxy group. It is a member of benzoic acids, a dicarboxylic acid, an aromatic ether and an enol ether. It derives from an acrylic acid. It is a conjugate acid of a 3-[(1-carboxylatovinyl)oxy]benzoate(2-).

SMILES: C=C(Oc1cccc(C(=O)O)c1)C(=O)O

SELFIES: [C][=C][Branch1][P][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 1.6