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2- (4-Methylphenyl) cyclopentan-1-one

CAT: 0926-XAA46007-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-XAA46007-01Size:50 mg
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CAS Number
22460-07-7
MDL Number
MFCD15527066
Smiles
CC1=CC=C (C=C1) C2CCCC2=O
Molecular Formula
C12H14O
Molecular Weight
174.24 g/mol
Controlled
No

Chemical Information

2-(4-Methylphenyl)cyclopentan-1-one
CAS Number22460-07-7
PubChem CID12662009
IUPAC Name2-(4-methylphenyl)cyclopentan-1-one
Molecular FormulaC12H14O
Molecular Weight174.24
XLogP2.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity189
SMILES
CC1=CC=C(C=C1)C2CCCC2=O
InChI
InChI=1S/C12H14O/c1-9-5-7-10(8-6-9)11-3-2-4-12(11)13/h5-8,11H,2-4H2,1H3
InChIKey
NOIVYHKOJQZICD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Methylphenyl)cyclopentan-1-one
CAS: 22460-07-7
CID: 12662009
Formula: C12H14O
MW: 174.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.24
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass174.104465066
Monoisotopic Mass174.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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