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Methyl gallate

CAT: 0926-FM40147-01Size: 5 KgDry Ice: NoHazardous: No
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CAT#:0926-FM40147-01Size:5 Kg
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CAS Number
99-24-1
MDL Number
MFCD00002194
Smiles
COC (=O) C1=CC (=C (C (=C1) O) O) O
Molecular Formula
C8H8O5
Molecular Weight
184.15 g/mol
Controlled
No

Chemical Information

Methyl Gallate

Methyl 3,4,5-trihydroxybenzoate is a gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties. It has a role as an antioxidant, an anti-inflammatory agent and a plant metabolite.

CAS Number99-24-1
PubChem CID7428
IUPAC Namemethyl 3,4,5-trihydroxybenzoate
Molecular FormulaC8H8O5
Molecular Weight184.15
XLogP0.9
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
COC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
InChIKey
FBSFWRHWHYMIOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl Gallate
CAS: 99-24-1
CID: 7428
Formula: C8H8O5
MW: 184.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.15
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass184.03717335
Monoisotopic Mass184.03717335
Topological Polar Surface Area87 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N2010-01Methyl gallate
M18370Methyl gallate 98%
HY-N2010R-01Methyl gallate (Standard)
MB0618Methyl gallate (Methyl 3, 4, 5-trihydroxybenzoate)
TBW01248(-)-Epicatechin-3-(3''-O-methyl) gallate
380210(-) -Epicatechin-3- (3''-O-methyl) gallate
GTR19183526-01(-) -Epigallocatechin-3- (3''-O-methyl) gallate
DD1261Dodecyl gallate (Lauryl gallate)

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