Molecule ID: 46878522

IUPAC Name: (E)-3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]prop-2-enoate

Description: The molecule is the conjugate base of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid; major species at pH 7.3. It is a conjugate base of a 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid.

SMILES: O=C([O-])/C=C/C1=CC=C[C@@H](O)[C@H]1O

SELFIES: [O][=C][Branch1][C][O-1][/C][=C][/C][=C][C][=C][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch1][O]

InChI: InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,7,9-10,13H,(H,11,12)/p-1/b5-4+/t7-,9+/m1/s1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 0.1