Chemical Formula C7H6O3

Molecular Weight 138.12 Daltons
Monoisotopic Mass 138.0316940589 Daltons

BioCyc Id CPD-16722
Synonyms 2,5-dihydroxybenzaldehyde
gentisate aldehyde
SMILES C(=O)C1(\C(\O)=C/C=C(/C=1)/O)
InChI InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H
InChIKey InChIKey=CLFRCXCBWIQVRN-UHFFFAOYSA-N
Log P 1.2
Topological Polar Surface Area 57.5 Å
Standard Gibbs Free Energy of Formation (ΔfG'°) -17.683277 kcal/mol []

ChEBI 28508
HMDB HMDB04062
Kegg C05585
MetaboLights MTBLC28508
MetaNetX MNXM4270
PubChem 70949
RefMet Gentisate aldehyde
Seed cpd03315
Credits: Created 11-Apr-2014 by Fulcher CA, SRI International