1-cyclopropyl-4-oxocyclohexane-1-carbonitrile

1-cyclopropyl-4-oxocyclohexane-1-carbonitrile

CAS: 960370-97-2

Formula: C10H13NO

SMILES: O=C1CCC(CC1)(C#N)C1CC1

IUPAC: 1-cyclopropyl-4-oxocyclohexane-1-carbonitrile

InChI: InChI=1S/C10H13NO/c11-7-10(8-1-2-8)5-3-9(12)4-6-10/h8H,1-6H2

Composition: C (73.59%), H (8.03%), N (8.58%), O (9.80%)

Molar Mass: 163.22

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	163.099714043
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PHPMGMPLWGFZKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.31
Topological Polar Surface Area	40.86
Polarizability	17.61
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	960370-97-2		$150.65-$2,748.50$150.65$187.45$258.75$401.35$687.70$2,748.50