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Home > Other Heterocycles > 85567-33-5
85567-33-5 | Bicyclo[2.2.1]heptane-2-propanenitrile,3,3-dimethyl-
CAS No: 85567-33-5 Catalog No: AG005267 MDL No:
Product Description
Catalog Number:
AG005267
Chemical Name:
Bicyclo[2.2.1]heptane-2-propanenitrile,3,3-dimethyl-
CAS Number:
85567-33-5
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
IUPAC Name:
3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanenitrile
InChI:
InChI=1S/C12H19N/c1-12(2)10-6-5-9(8-10)11(12)4-3-7-13/h9-11H,3-6,8H2,1-2H3
InChI Key:
FLEZSMIKDUKERR-UHFFFAOYSA-N
SMILES:
N#CCCC1C2CCC(C1(C)C)C2
EC Number:
287-747-8
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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