Molecule ID: 90657258

IUPAC Name: 2-(2-hydroxy-1H-indol-3-yl)acetate

Description: The molecule is an indol-3-yl carboxylic acid anion resulting from the deprotonation of the carboxy group of 2-hydroxy-(indol-3-yl)acetic acid. This is a very minor tautomer; the major tautomer is the corresponding oxindole. It is a conjugate base of a 2-hydroxy-(indol-3-yl)acetic acid.

SMILES: O=C([O-])Cc1c(O)[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O-1][C][C][=C][Branch1][C][O][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]

InChI: InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,11,14H,5H2,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 76.2 Ų
- LogP: 2.1