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72764-26-2 | Bicyclo[2.2.2]octane-1-carboxylic acid, 3-cyano-, ethyl ester
CAS No: 72764-26-2 Catalog No: AG005F4C MDL No:
Product Description
Catalog Number:
AG005F4C
Chemical Name:
Bicyclo[2.2.2]octane-1-carboxylic acid, 3-cyano-, ethyl ester
CAS Number:
72764-26-2
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
ethyl 3-cyanobicyclo[2.2.2]octane-1-carboxylate
InChI:
InChI=1S/C12H17NO2/c1-2-15-11(14)12-5-3-9(4-6-12)10(7-12)8-13/h9-10H,2-7H2,1H3
InChI Key:
AUYFOAYJTAJPFL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12CCC(CC1)C(C2)C#N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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