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Chemical structure of 4-Methylcatechol

GC30658

4-Methylcatechol

Also known as 4-methylbenzene-1,2-diol

4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase

ChemicalCAS452-86-8MW124.14FormulaC7H8O2
CAS number
452-86-8
Molecular weight
124.14
Formula
C7H8O2
Solubility
DMSO： 100 mg/mL (805·54 mM)
InChIKey
ZBCATMYQYDCTIZ-UHFFFAOYSA-N
Catalogue number
GC30658
Brand
GLPBIO
Computed properties PubChem CID 9958 · XLogP 1.4 · TPSA 40.5 Ų · H-bond donors 2
XLogP
1.4
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

SMILES CC1=CC(=C(C=C1)O)O

Computed descriptors from PubChem (CID 9958), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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