4-oxo-1-phenylcyclohexane-1-carbonitrile

4-oxo-1-phenylcyclohexane-1-carbonitrile

CAS: 25115-74-6

Formula: C13H13NO

SMILES: O=C1CCC(CC1)(C#N)C1=CC=CC=C1

IUPAC: 4-oxo-1-phenylcyclohexane-1-carbonitrile

InChI: InChI=1S/C13H13NO/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11/h1-5H,6-9H2

Composition: C (78.36%), H (6.58%), N (7.03%), O (8.03%)

Molar Mass: 199.253

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.099714043
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GKXOABVSZWCJJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.06
Topological Polar Surface Area	40.86
Polarizability	22.4
Ring Count	2
Rotatable Bond Count	1

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