CAS 1916-07-0|Methyl 3,4,5-trimethoxybenzoate 98%|methyl 3,4,5-trimethoxybenzoate|methyl 3,4,5-trimethoxybenzoate|METHYL-3,4,5-TRIMETHOXY BENZOATE|methyl 3,4,5-trimethoxybenzoate|3,4,5-三甲氧基苯甲酸...

General Information

Structure

Molecular Formula

C₁₁H₁₄O₅

Molecular Mass

226.22586

Exact Mass

226.08412355

Charge

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

Canonic Smiles

COC(=O)c1cc(OC)c(c(c1)OC)OC

Isomeric Smiles

O(C(=O)c1cc(c(c(c1)OC)OC)OC)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.503709

LogD (pH = 7.4)

1.503709

Log P

1.503709

Molar Refractivity

57.4729

Polarizability

22.36368

Polar Surface Area

53.99

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Methyl 3,4,5-trimethoxybenzoate 98%METHYL-3,4,5-TRIMETHOXY BENZOATEmethyl 3,4,5-trimethoxybenzoate3,4,5-三甲氧基苯甲酸甲酯Methyl 3,4,5-trimethoxybenzoateMethyl EudesmateMethyl Tri-O-methylgallateTrimethylgallic Acid Methyl EsterMethyl Gallate Trimethyl Ether3,4,5-Trimethoxybenzoic Acid Methyl EsterNSC 16955

IUPAC Traditional name

methyl 3,4,5-trimethoxybenzoate

IUPAC name

methyl 3,4,5-trimethoxybenzoate

Names and Identifiers

Registration numbers

CAS Number

1916-07-0

EC Number

217-629-3

MDL Number

MFCD00008431