Free Chemical Databases
-
[Synonyms]
NSC91518
ST5443633
Alpha-cyano-2-norbornaneacetic acid, ethyl ester
71172-71-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 207.26888 [g/mol] Molecular Formula C12H17NO2 XLogP 3.3 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 4 Exact Mass 207.125929 MonoIsotopic Mass 207.125929 Topological Polar Surface Area 50.1 Heavy Atom Count 15 Formal Charge 0 Complexity 304 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 4 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 2-(6-bicyclo[2.2.1]heptanyl)-2-cyanoacetate
Canonical SMILES: CCOC(=O)C(C#N)C1CC2CCC1C2
InChI: InChI=1/C12H17NO2/c1-2-15-12(14)11(7-13)10-6-8-3-4-9(10)5-8/h8-11H,
2-6H2,1H3
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