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2-Phenylcyclopentan-1-one

CAT: 0127-OR1047123-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1047123-01Size:100 mg
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CAS Number
1198-34-1
MDL Number
MFCD12545827
Purity
95%
Smiles
O=C1C(C2=CC=CC=C2)CCC1

Chemical Information

2-Phenylcyclopentanone
CAS Number1198-34-1
PubChem CID290154
IUPAC Name2-phenylcyclopentan-1-one
Molecular FormulaC11H12O
Molecular Weight160.21
XLogP2.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity168
SMILES
C1CC(C(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C11H12O/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
NPELEPAOYMNNRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylcyclopentanone
CAS: 1198-34-1
CID: 290154
Formula: C11H12O
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass160.088815002
Monoisotopic Mass160.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity168
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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