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Methyl 2,3-dimethoxybenzoate

CAT: 0024-sc-228506Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-228506Size:10 g
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CAS Number
2150-42-7

Chemical Information

Methyl 2,3-dimethoxybenzoate
CAS Number2150-42-7
PubChem CID75075
IUPAC Namemethyl 2,3-dimethoxybenzoate
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP2
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
COC1=CC=CC(=C1OC)C(=O)OC
InChI
InChI=1S/C10H12O4/c1-12-8-6-4-5-7(9(8)13-2)10(11)14-3/h4-6H,1-3H3
InChIKey
MGLIMPUPAKQITQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2,3-dimethoxybenzoate
CAS: 2150-42-7
CID: 75075
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
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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