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89753-94-6 | Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, methyl ester
CAS No: 89753-94-6 Catalog No: AG0040ZD MDL No:
Product Description
Catalog Number:
AG0040ZD
Chemical Name:
Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, methyl ester
CAS Number:
89753-94-6
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
methyl 2-cyanobicyclo[2.2.2]octane-1-carboxylate
InChI:
InChI=1S/C11H15NO2/c1-14-10(13)11-4-2-8(3-5-11)6-9(11)7-12/h8-9H,2-6H2,1H3
InChI Key:
PHMJGXYIGVGMNR-UHFFFAOYSA-N
SMILES:
N#CC1CC2CCC1(CC2)C(=O)OC
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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