catechol

Chemical Formula:

C₆H₆O₂

Molecular Weight:

110.112 Daltons

Monoisotopic Mass:

110.03677943679999 Daltons

SMILES:

C1(C=CC(=C(C=1)O)O)

InChI:

1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

InChIKey:

YCIMNLLNPGFGHC-UHFFFAOYSA-N

Synonyms

pyrocatechol
2-hydroxyphenol
pyrocatechin
1,2-dihydroxybenzene
1,2-benzenediol
o-Benzenediol
Brenzcatechin

Databases

MetaCyc: CATECHOL

RefMet: Pyrocatechol

MetaboLights: MTBLC18135

HMDB: HMDB00957

DRUGBANK: DB02232

ChemSpider: 13837760

PubChem (CID): 289

KEGG: C00090

ChEBI: 18135

CAS: 120-80-9

PupChem (SID): 3390

CHEMBL: CHEMBL280998

PDB-CCD: CAQ

3DMET: B00023

NIKKAJI: J2.921A

KNApSAcK: C00002644