Molecule ID: 80642

IUPAC Name: 5-(hydroxymethyl)furan-2-carboxylic acid

Description: The molecule is a member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a hydroxymethyl group. It has a role as a human urinary metabolite, a nematicide, a bacterial xenobiotic metabolite and a fungal metabolite. It is a furoic acid and an aromatic primary alcohol.

SMILES: O=C(O)c1ccc(CO)o1

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

InChI: InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)

Molecular Properties:
- Polar Surface Area: 70.7 Ų
- LogP: 0.0