3-cyclohexyl-3-oxopropanenitrile

3-cyclohexyl-3-oxopropanenitrile

CAS: 62455-70-3

Formula: C9H13NO

SMILES: O=C(CC#N)C1CCCCC1

IUPAC: 3-cyclohexyl-3-oxopropanenitrile

InChI: InChI=1S/C9H13NO/c10-7-6-9(11)8-4-2-1-3-5-8/h8H,1-6H2

Composition: C (71.49%), H (8.67%), N (9.26%), O (10.58%)

Molar Mass: 151.209

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	151.099714043
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SFILZUIMJFKTHM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.72
Topological Polar Surface Area	40.86
Polarizability	16.49
Ring Count	1
Rotatable Bond Count	2

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97%	<7 Days	62455-70-3		$163.63-$1,503.48$163.63$303.88$880.77$1,503.48

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	62455-70-3		$124.20-$2,748.50$124.20$134.55$143.75$172.50$687.70$2,748.50