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3,4,5-Trimethoxybenzoic Acid

CAT: 1459-CS-T-45544Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-45544Size:1 Each
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Description
3,4,5-Trimethoxybenzoic Acid is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Trimebutine. The product is supplied by Clearsynth under CAT No. CS-T-45544. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
118-41-2
Synonyms
3,4,5-Trimethoxybenzoic Acid
Molecular Formula
C 10 H 12 O 5
Molecular Weight
212.20
Additionnal Information
3,4,5-Trimethoxybenzoic Acid is supplied with detailed characterization data compliant with regulatory guideline. 3,4,5-Trimethoxybenzoic Acid can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Trimebutine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

3,4,5-Trimethoxybenzoic Acid

3,4,5-trimethoxybenzoic acid is a benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. It has a role as a plant metabolite, a human xenobiotic metabolite and a human urinary metabolite. It is a member of benzoic acids and a member of methoxybenzenes. It is functionally related to a benzoic acid. It is a conjugate acid of a 3,4,5-trimethoxybenzoate.

CAS Number118-41-2
PubChem CID8357
IUPAC Name3,4,5-trimethoxybenzoic acid
Molecular FormulaC10H12O5
Molecular Weight212.20
XLogP1.4
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity204
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)O
InChI
InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey
SJSOFNCYXJUNBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trimethoxybenzoic Acid
CAS: 118-41-2
CID: 8357
Formula: C10H12O5
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass212.06847348
Monoisotopic Mass212.06847348
Topological Polar Surface Area65 Ų
Heavy Atom Count15
Formal Charge0
Complexity204
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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