4-oxocyclohexane-1-carbonitrile

4-oxocyclohexane-1-carbonitrile

CAS: 34916-10-4

Formula: C7H9NO

SMILES: O=C1CCC(CC1)C#N

IUPAC: 4-oxocyclohexane-1-carbonitrile

InChI: InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h6H,1-4H2

Composition: C (68.27%), H (7.37%), N (11.37%), O (12.99%)

Molar Mass: 123.155

Atom Count: 18

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	123.068413914
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QIWQJGMBIABGRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.47
Topological Polar Surface Area	40.86
Polarizability	12.82
Ring Count	1
Rotatable Bond Count	0

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