Molecule ID: 91826607

IUPAC Name: 3,4-dimethyl-1H-indole-2-carboxylate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 3,4-dimethylindole-2-carboxylic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a 3,4-dimethylindole-2-carboxylic acid.

SMILES: Cc1cccc2[nH]c(C(=O)[O-])c(C)c12

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

InChI: InChI=1S/C11H11NO2/c1-6-4-3-5-8-9(6)7(2)10(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 55.9 Ų
- LogP: 3.3