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2,6-Dimethoxybenzoic acid (Standard)

CAT: 0804-HY-76504R-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-76504R-01Size:25 mg
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Description
2,6-Dimethoxybenzoic acid (Standard) is the analytical standard of 2,6-Dimethoxybenzoic acid. This product is intended for research and analytical applications. 2,6-Dimethoxybenzoic acid is a member of organic compounds known as o-methoxybenzoic acids and derivatives.
CAS Number
1466-76-8
UNSPSC
12352100
Target
Endogenous Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Smiles
O=C(O)C(C(OC)=CC=C1)=C1OC
Molecular Formula
C9H10O4
Molecular Weight
182.18
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

2,6-Dimethoxybenzoic Acid

2,6-Dimethoxybenzoic acid is a member of benzenes and a carbonyl compound.

CAS Number1466-76-8
PubChem CID15109
IUPAC Name2,6-dimethoxybenzoic acid
Molecular FormulaC9H10O4
Molecular Weight182.17
XLogP0.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity168
SMILES
COC1=C(C(=CC=C1)OC)C(=O)O
InChI
InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey
MBIZFBDREVRUHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethoxybenzoic Acid
CAS: 1466-76-8
CID: 15109
Formula: C9H10O4
MW: 182.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass182.05790880
Monoisotopic Mass182.05790880
Topological Polar Surface Area55.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity168
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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