5-methyl-3-oxohexanenitrile

5-methyl-3-oxohexanenitrile

CAS: 64373-43-9

Formula: C7H11NO

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

IUPAC: 5-methyl-3-oxohexanenitrile

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

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	MWTCJTAGNBZWSO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.29
Topological Polar Surface Area	40.86
Polarizability	13.54
Ring Count	0
Rotatable Bond Count	3

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