Molecule ID: 145944415

IUPAC Name: 7-hydroxy-5-methyl-2-oxochromen-4-olate

Description: The molecule is an organic anion that is the conjugate base of 4,7-dihydroxy-5-methylcoumarin, obtained by deprotonation of the 4-hydroxy group. It is the major microspecies at pH 7.3. It is a conjugate base of a 4,7-dihydroxy-5-methylcoumarin.

SMILES: Cc1cc([O-])cc2oc(=O)cc(O)c12

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

InChI: InChI=1S/C10H8O4/c1-5-2-6(11)3-8-10(5)7(12)4-9(13)14-8/h2-4,11-12H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 1.9