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3-phenylcyclohexan-1-one

3-phenylcyclohexan-1-one

CAS: 20795-53-3

Formula: C12H14O

SMILES: O=C1CCCC(C1)C1=CC=CC=C1

IUPAC: 3-phenylcyclohexan-1-one

InChI: InChI=1/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2

Composition: C (82.72%), H (8.10%), O (9.18%)

Molar Mass: 174.243

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 174.104465071
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CJAUDSQXFVZPTO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.89
Topological Polar Surface Area 17.07
Polarizability 20.74
Ring Count 2
Rotatable Bond Count 1

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