Molecule ID: 9543128

IUPAC Name: 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid

Description: The molecule is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid. It is a conjugate acid of a 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate. It is an enantiomer of a 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid.

SMILES: O=C(O)CCC1=CC=C[C@@H](O)[C@H]1O

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

InChI: InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/t7-,9+/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: -0.7