Free Chemical Databases
-
[Synonyms]
NSC69967
[Structure]
[ Properties Computed from Structure]
Molecular Weight 207.26888 [g/mol] Molecular Formula C12H17NO2 XLogP 3.4 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 5 Exact Mass 207.125929 MonoIsotopic Mass 207.125929 Topological Polar Surface Area 50.1 Heavy Atom Count 15 Formal Charge 0 Complexity 271 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: prop-2-enyl 2-cyano-2-cyclohexylacetate
Canonical SMILES: C=CCOC(=O)C(C#N)C1CCCCC1
InChI: InChI=1/C12H17NO2/c1-2-8-15-12(14)11(9-13)10-6-4-3-5-7-10/h2,10-11H,1,
3-8H2
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