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3',4'-Dimethoxyacetophenone

CAT: 0127-OR11051-03Size: 10 KgDry Ice: NoHazardous: No
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CAT#:0127-OR11051-03Size:10 Kg
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CAS Number
1131-62-0
Synonyms
1- (3,4-Dimethoxyphenyl) ethan-1-one
MDL Number
MFCD00008737
Purity
98%
Smiles
COc1ccc(cc1OC)C(=O)C

Chemical Information

3,4-Dimethoxyphenyl methyl ketone

Acetoveratrone is a member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3' and 4' respectively. It is a member of acetophenones and a dimethoxybenzene.

CAS Number1131-62-0
PubChem CID14328
IUPAC Name1-(3,4-dimethoxyphenyl)ethanone
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP1.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity179
SMILES
CC(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
InChIKey
IQZLUWLMQNGTIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethoxyphenyl methyl ketone
CAS: 1131-62-0
CID: 14328
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity179
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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