catechol

Synonyms: "pyrocatechol", "1,2-benzenediol", "1,2-dihydroxybenzene", "pyrocatechin", "2-hydroxyphenol", "o-benzenediol", "benzene-1,2-diol"

Source: catechol is found in plants including onions, apples and crude sugar beets.

Identifiers:

IUPAC Name: benzene-1,2-diol
CAS Number: 120-80-9
PubChem ID: 289
InChiKey: YCIMNLLNPGFGHC-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)O)O

Structural Properties:

Molecular Formula: C₆H₆O₂
Molecular Weight: 110.111

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 8

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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