2,2-dimethyl-4-oxo-3H-1-benzopyran-7-carbonitrile

2,2-dimethyl-4-oxo-3H-1-benzopyran-7-carbonitrile

CAS: 130200-02-1

Formula: C12H11NO2

SMILES: CC1(C)CC(=O)C2=C(O1)C=C(C=C2)C#N

IUPAC: 2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-carbonitrile

InChI: InChI=1S/C12H11NO2/c1-12(2)6-10(14)9-4-3-8(7-13)5-11(9)15-12/h3-5H,6H2,1-2H3

Composition: C (71.63%), H (5.51%), N (6.96%), O (15.90%)

Molar Mass: 201.225

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.078978598
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CDRFBUBCMVKJFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.84
Topological Polar Surface Area	50.09
Polarizability	21.37
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	130200-02-1		$405.79-$2,290.75$405.79$888.25$2,290.75