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3,4-Dimethoxy-2-methylbenzoic Acid

CAT: 0572-TRC-D494665-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D494665-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5722-94-1
Synonyms
3,4-Dimethoxy-2-methylbenzoic Acid; Benzoic acid, 3,4-dimethoxy-2-methyl-; Veratric acid, 2-methyl- (8CI); 3,4-Dimethoxy-2-methylbenzoic acid; 2-Methyl-3,4-dimethoxybenzoic acid; 2-Methylveratric acid
Hazard Statement
No Data Available
Smiles
COc1ccc(C(=O)O)c(C)c1OC
Molecular Formula
C10 H12 O4
Molecular Weight
196.2
InChI
InChI=1S/C10H12O4/c1-6-7(10(11)12)4-5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H,11,12)
Additionnal Information
IUPAC name: 3,4-dimethoxy-2-methylbenzoic acid
Shipping Conditions
Room Temperature

Chemical Information

3,4-Dimethoxy-2-methylbenzoic acid
CAS Number5722-94-1
PubChem CID11788818
IUPAC Name3,4-dimethoxy-2-methylbenzoic acid
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity204
SMILES
CC1=C(C=CC(=C1OC)OC)C(=O)O
InChI
InChI=1S/C10H12O4/c1-6-7(10(11)12)4-5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChIKey
OUEJXYZKZCQELU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethoxy-2-methylbenzoic acid
CAS: 5722-94-1
CID: 11788818
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
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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