4-(2-methylphenyl)oxane-4-carbonitrile

4-(2-methylphenyl)oxane-4-carbonitrile

CAS: 3648-76-8

Formula: C13H15NO

SMILES: CC1=CC=CC=C1C1(CCOCC1)C#N

IUPAC: 4-(2-methylphenyl)oxane-4-carbonitrile

InChI: InChI=1S/C13H15NO/c1-11-4-2-3-5-12(11)13(10-14)6-8-15-9-7-13/h2-5H,6-9H2,1H3

Composition: C (77.58%), H (7.51%), N (6.96%), O (7.95%)

Molar Mass: 201.269

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.115364107
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZLRMKWPREAHUFW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.01
Topological Polar Surface Area	33.02
Polarizability	22.95
Ring Count	2
Rotatable Bond Count	1

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	3648-76-8		$253.46-$690.46$253.46$253.46$325.57$325.57$690.46$690.46