Free Chemical Databases
-
[Synonyms]
NSC71312
5259-69-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 140.18298 [g/mol] Molecular Formula C7H12N2O XLogP 0.8 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 1 Exact Mass 140.094963 MonoIsotopic Mass 140.094963 Topological Polar Surface Area 56.1 Heavy Atom Count 10 Formal Charge 0 Complexity 152 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(hydroxyamino)cyclohexane-1-carbonitrile
Canonical SMILES: C1CCC(CC1)(C#N)NO
InChI: InChI=1/C7H12N2O/c8-6-7(9-10)4-2-1-3-5-7/h9-10H,1-5H2
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