4,4-dimethyl-5-oxopentanenitrile

4,4-dimethyl-5-oxopentanenitrile

CAS: 6140-61-0

Formula: C7H11NO

SMILES: CC(C)(CCC#N)C=O

IUPAC: 4,4-dimethyl-5-oxopentanenitrile

InChI: InChI=1S/C7H11NO/c1-7(2,6-9)4-3-5-8/h6H,3-4H2,1-2H3

Composition: C (67.17%), H (8.86%), N (11.19%), O (12.78%)

Molar Mass: 125.171

Atom Count: 20

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	125.084063978
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HKJVKIURQSVEQB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.27
Topological Polar Surface Area	40.86
Polarizability	13.54
Ring Count	0
Rotatable Bond Count	3

Suppliers

Frinton Laboratories, Inc.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<10 Days	6140-61-0		$90.00-$337.50$90.00$337.50

Liquid

MATRIX SCIENTIFIC

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95%	<2 Days	6140-61-0		$202.14-$311.22$202.14$311.22