2,2-dimethyl-3-oxobutanenitrile

2,2-dimethyl-3-oxobutanenitrile

CAS: 37719-02-1

Formula: C6H9NO

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

IUPAC: 2,2-dimethyl-3-oxobutanenitrile

InChI: InChI=1S/C6H9NO/c1-5(8)6(2,3)4-7/h1-3H3

Composition: C (64.84%), H (8.16%), N (12.60%), O (14.39%)

Molar Mass: 111.144

Atom Count: 17

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	111.068413914
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GWBVNZWGZJJONZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	30.59
Topological Polar Surface Area	40.86
Polarizability	11.7
Ring Count	0
Rotatable Bond Count	1

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