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Methyl 3,5-dimethoxybenzoate

CAT: 0127-OR11318-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR11318-01Size:25 g
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CAS Number
2150-37-0
MDL Number
MFCD00008432
Purity
98%
Smiles
COC(=O)c1cc(OC)cc(OC)c1

Chemical Information

Methyl 3,5-Dimethoxybenzoate
CAS Number2150-37-0
PubChem CID75074
IUPAC Namemethyl 3,5-dimethoxybenzoate
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP2.1
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity181
SMILES
COC1=CC(=CC(=C1)C(=O)OC)OC
InChI
InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
InChIKey
YXUIOVUOFQKWDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3,5-Dimethoxybenzoate
CAS: 2150-37-0
CID: 75074
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP32.1
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
Complexity181
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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