4-methylcatechol
Synonyms: "3,4-dihydroxytoluene", "homocatechol", "4-methyl-1,2-benzenediol", "homopyrocatechol", "p-methylcatechol", "4-methylpyrocatechol"
Source: 4-methylcatechol is used as intermediate in the production of bactericide and antioxidant.
Identifiers:
IUPAC Name: 4-methylbenzene-1,2-diol
CAS Number: 452-86-8
PubChem ID: 9958
InChiKey: ZBCATMYQYDCTIZ-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(=C(C=C1)O)O
Structural Properties:
Molecular Formula: C7H8O2
Molecular Weight: 124.137
Pharmacophore Features:
Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 9
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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
Lindsay RH, Hill JB, Gaitan E, Cooksey RC, Jolley RL. 1992. Antithyroid effects of coal-derived pollutants. J Toxicol Environ Health 37(4):467-481.
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2D-structure
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