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4'-Methoxypropiophenone

CAT: 0127-OR8854-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR8854-01Size:25 g
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CAS Number
121-97-1
MDL Number
MFCD00009310
Purity
98%
Smiles
CCC(=O)c1ccc(OC)cc1

Chemical Information

4-Propanoylanisole

P-Methoxypropiophenone is an aromatic ketone.

CAS Number121-97-1
PubChem CID67144
IUPAC Name1-(4-methoxyphenyl)propan-1-one
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity146
SMILES
CCC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
InChIKey
ZJVAWPKTWVFKHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Propanoylanisole
CAS: 121-97-1
CID: 67144
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity146
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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