Molecule ID: 86289434

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

Description: The molecule is a phenolate anion obtained by deprotonation of the 7-hydroxy group of noreugenin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as a plant metabolite. It is a conjugate base of a noreugenin.

SMILES: Cc1cc(=O)c2c(O)cc([O-])cc2o1

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

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

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 0.9