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Home > Other Heterocycles > 85567-32-4
85567-32-4 | Bicyclo[2.2.1]heptane-2-butanenitrile,3,3-dimethyl-
CAS No: 85567-32-4 Catalog No: AG004UGR MDL No:
Product Description
Catalog Number:
AG004UGR
Chemical Name:
Bicyclo[2.2.1]heptane-2-butanenitrile,3,3-dimethyl-
CAS Number:
85567-32-4
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
IUPAC Name:
4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)butanenitrile
InChI:
InChI=1S/C13H21N/c1-13(2)11-7-6-10(9-11)12(13)5-3-4-8-14/h10-12H,3-7,9H2,1-2H3
InChI Key:
FUWRDISUIDPNNF-UHFFFAOYSA-N
SMILES:
N#CCCCC1C2CCC(C1(C)C)C2
EC Number:
287-746-2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.318g/mol
Monoisotopic Mass:
191.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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