Molecule ID: 123964

IUPAC Name: 2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid

Description: The molecule is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group. It has a role as an antineoplastic agent. It is a member of xanthones and a monocarboxylic acid.

SMILES: Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C

SELFIES: [C][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C]

InChI: InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 3.2