Molecule ID: 119219

IUPAC Name: 2-(3,4-dihydroxyphenyl)acetaldehyde

Description: The molecule is a phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of catechols, an alpha-CH2-containing aldehyde and a member of phenylacetaldehydes.

SMILES: O=CCc1ccc(O)c(O)c1

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

InChI: InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 0.4