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Chemical structure of Methyl 3,4-Dihydroxybenzoate

GC31783

Methyl 3,4-Dihydroxybenzoate

Also listed as Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester)

Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester) (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea

ChemicalCAS2150-43-8MW168.15FormulaC8H8O4
CAS number
2150-43-8
Molecular weight
168.15
Formula
C8H8O4
Solubility
DMSO ： ≥ 100 mg/mL (594·71 mM)
InChIKey
CUFLZUDASVUNOE-UHFFFAOYSA-N
Catalogue number
GC31783
Brand
GLPBIO
Computed properties PubChem CID 287064 · XLogP 1.5 · TPSA 66.8 Ų · H-bond donors 2
XLogP
1.5
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

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

Computed descriptors from PubChem (CID 287064), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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