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2,3-Dimethoxybenzoic acid

CAT: 0572-TRC-D479588-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D479588-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1521-38-6
Synonyms
ortho-Veratric acid
Hazard Statement
No Data Available
Smiles
COc1cccc(C(=O)O)c1OC
Molecular Formula
C9 H10 O4
Molecular Weight
182.17
InChI
InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)
Additionnal Information
IUPAC name: 2,3-dimethoxybenzoic acid
Shipping Conditions
Room Temperature

Chemical Information

2,3-Dimethoxybenzoic acid
CAS Number1521-38-6
PubChem CID15204
IUPAC Name2,3-dimethoxybenzoic acid
Molecular FormulaC9H10O4
Molecular Weight182.17
XLogP1.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity180
SMILES
COC1=CC=CC(=C1OC)C(=O)O
InChI
InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)
InChIKey
FODBVCSYJKNBLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethoxybenzoic acid
CAS: 1521-38-6
CID: 15204
Formula: C9H10O4
MW: 182.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP31.7
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
Complexity180
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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