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2- (2-Phenylethyl) cyclopentan-1-one

CAT: 0926-PAA72144-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PAA72144-01Size:50 mg
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CAS Number
14721-44-9
MDL Number
MFCD01024568
Smiles
C1CC (C (=O) C1) CCC2=CC=CC=C2
Molecular Formula
C13H16O
Molecular Weight
188.26 g/mol
Controlled
No

Chemical Information

2-(2-Phenylethyl)cyclopentan-1-one
CAS Number14721-44-9
PubChem CID10081183
IUPAC Name2-(2-phenylethyl)cyclopentan-1-one
Molecular FormulaC13H16O
Molecular Weight188.26
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity191
SMILES
C1CC(C(=O)C1)CCC2=CC=CC=C2
InChI
InChI=1S/C13H16O/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey
KWUMHBBOKACBJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Phenylethyl)cyclopentan-1-one
CAS: 14721-44-9
CID: 10081183
Formula: C13H16O
MW: 188.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.26
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass188.120115130
Monoisotopic Mass188.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity191
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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