Free Chemical Databases
-
[Synonyms]
Cyclohexane, (nitromethylene)-
NSC160499
27861-39-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 141.16774 [g/mol] Molecular Formula C7H11NO2 XLogP 1.8 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 0 Tautomer Count 2 Exact Mass 141.078979 MonoIsotopic Mass 141.078979 Topological Polar Surface Area 43.1 Heavy Atom Count 10 Formal Charge 0 Complexity 150 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: nitromethylidenecyclohexane
Canonical SMILES: C1CCC(=C[N+](=O)[O-])CC1
InChI: InChI=1/C7H11NO2/c9-8(10)6-7-4-2-1-3-5-7/h6H,1-5H2
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