Molecule ID: 91820425

IUPAC Name: 3-[(1R,4R)-4-hydroxycyclohex-2-en-1-yl]-2-oxopropanoic acid

Description: The molecule is a tetrahydro-4-hydroxyphenylpyruvic acid with (1R,4R)-stereochemistry. It has a role as a bacterial metabolite. It is a conjugate acid of a 3-[(1R,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvate.

SMILES: O=C(O)C(=O)C[C@@H]1C=C[C@H](O)CC1

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C@@H1][C][=C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1]

InChI: InChI=1S/C9H12O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,6-7,10H,2,4-5H2,(H,12,13)/t6-,7+/m1/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.2