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3-benzylcyclohexan-1-one

3-benzylcyclohexan-1-one

CAS: 85450-51-7

Formula: C13H16O

SMILES: O=C1CCCC(CC2=CC=CC=C2)C1

IUPAC: 3-benzylcyclohexan-1-one

InChI: InChI=1/C13H16O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2

Composition: C (82.94%), H (8.57%), O (8.50%)

Molar Mass: 188.27

Atom Count: 30

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 188.120115135
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HAGFSCDMVBLDET-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.49
Topological Polar Surface Area 17.07
Polarizability 22.59
Ring Count 2
Rotatable Bond Count 2

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