4-(2-oxopropyl)benzonitrile

4-(2-oxopropyl)benzonitrile

CAS: 58949-75-0

Formula: C10H9NO

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

IUPAC: 4-(2-oxopropyl)benzonitrile

InChI: InChI=1S/C10H9NO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h2-5H,6H2,1H3

Composition: C (75.45%), H (5.70%), N (8.80%), O (10.05%)

Molar Mass: 159.188

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	159.068413914
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MBPJGOUSBPAUNX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.64
Topological Polar Surface Area	40.86
Polarizability	17.75
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	58949-75-0		$126.50-$3,185.50$126.50$143.75$171.35$227.70$802.70$3,185.50