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Chemical structure of Methyl 2,4,6-trihydroxybenzoate

GC64408

Methyl 2,4,6-trihydroxybenzoate

Also known as methyl 2,4,6-trihydroxybenzoate

Methyl 2,4,6-trihydroxybenzoate is a metabolite of 2,4,6-trihydroxybenzoate and exhibits properties as an antioxidant, lipid lowering and anticancer activities

ChemicalCAS3147-39-5MW184.15FormulaC8H8O5
CAS number
3147-39-5
Molecular weight
184.15
Formula
C8H8O5
Solubility
DMSO ： 100 mg/mL (543·04 mM; Need ultrasonic)
InChIKey
AQDIJIAUYXOCGX-UHFFFAOYSA-N
Catalogue number
GC64408
Brand
GLPBIO
Computed properties PubChem CID 76600 · XLogP 1.3 · TPSA 87 Ų · H-bond donors 3
XLogP
1.3
TPSA
87 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

SMILES COC(=O)C1=C(C=C(C=C1O)O)O

Computed descriptors from PubChem (CID 76600), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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