Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 172.22484 [g/mol] Molecular Formula C8H16N2O2 XLogP 2.3 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 5 Tautomer Count 6 Exact Mass 172.121178 MonoIsotopic Mass 172.121178 Topological Polar Surface Area 61.7 Heavy Atom Count 12 Formal Charge 0 Complexity 166 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-(3-nitrosooct-2-en-2-yl)hydroxylamine
Canonical SMILES: CCCCCC(=C(C)NO)N=O
InChI: InChI=1/C8H16N2O2/c1-3-4-5-6-8(10-12)7(2)9-11/h9,11H,3-6H2,1-2H3
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