4-(2-hydroxy-4-oxocyclohex-2-en-1-yl)benzonitrile

4-(2-hydroxy-4-oxocyclohex-2-en-1-yl)benzonitrile

CAS: 120630-23-1

Formula: C13H11NO2

SMILES: OC1=CC(=O)CCC1C1=CC=C(C=C1)C#N

IUPAC: 4-(2-hydroxy-4-oxocyclohex-2-en-1-yl)benzonitrile

InChI: InChI=1/C13H11NO2/c14-8-9-1-3-10(4-2-9)12-6-5-11(15)7-13(12)16/h1-4,7,12,16H,5-6H2

Composition: C (73.23%), H (5.20%), N (6.57%), O (15.01%)

Molar Mass: 213.236

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	213.078978598
Formal Charge	0
FSP3	0.23
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HGCRCPFZRRLILS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.68
Topological Polar Surface Area	61.09
Polarizability	22.92
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	120630-23-1		$51.35-$524.40$51.35$63.37$86.31$524.40