Molecule ID: 59074148

IUPAC Name: 4-hydroxy-2,5-dimethylfuran-3-olate

Description: The molecule is an organic anion that is the conjugate base of 4-hydroxy-2,5-dimethyl-3-furanone, obtained by deprotonation of the hydroxy group with concomitant keto/enol-type tautomerisation. It is thought to be a major microspecies at pH 7.3. It is a conjugate base of a 4-hydroxy-2,5-dimethylfuran-3-one.

SMILES: Cc1oc(C)c(O)c1[O-]

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

InChI: InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h7-8H,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 56.4 Ų
- LogP: 1.7