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Methyl 3,4,5-trimethoxybenzoate

CAT: 0926-FM25405-01Size: 1000 gDry Ice: NoHazardous: No
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CAT#:0926-FM25405-01Size:1000 g
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CAS Number
1916-07-0
Synonyms
3,4,5-Trimethoxybenzoic acid methyl ester; Methyl eudesmate; Methyl gallate trimethyl ether
MDL Number
MFCD00008431
Smiles
COC1=CC (=CC (=C1OC) OC) C (=O) OC
Molecular Formula
C11H14O5
Molecular Weight
226.23 g/mol
Controlled
No

Chemical Information

Methyl 3,4,5-trimethoxybenzoate

Methyl EudesMate is a trihydroxybenzoic acid.

CAS Number1916-07-0
PubChem CID15956
IUPAC Namemethyl 3,4,5-trimethoxybenzoate
Molecular FormulaC11H14O5
Molecular Weight226.23
XLogP1.7
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity216
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC
InChI
InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
InChIKey
KACHFMOHOPLTNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3,4,5-trimethoxybenzoate
CAS: 1916-07-0
CID: 15956
Formula: C11H14O5
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass226.08412354
Monoisotopic Mass226.08412354
Topological Polar Surface Area54 Ų
Heavy Atom Count16
Formal Charge0
Complexity216
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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