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Home > Other Heterocycles > 85391-87-3
85391-87-3 | ethyl alpha-cyano-6,6-dimethylbicyclo[3.1.1]heptane-2-propionate
CAS No: 85391-87-3 Catalog No: AG00GPEM MDL No:
Product Description
Catalog Number:
AG00GPEM
Chemical Name:
ethyl alpha-cyano-6,6-dimethylbicyclo[3.1.1]heptane-2-propionate
CAS Number:
85391-87-3
IUPAC Name:
ethyl 2-cyano-3-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)propanoate
InChI:
InChI=1S/C15H23NO2/c1-4-18-14(17)11(9-16)7-10-5-6-12-8-13(10)15(12,2)3/h10-13H,4-8H2,1-3H3
InChI Key:
ZODZFEQFLYGDIG-UHFFFAOYSA-N
EC Number:
286-843-7
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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