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Home > Other Heterocycles > 84963-32-6
84963-32-6 | Bicyclo[2.2.2]octane-2-carbonitrile,5-methyl-7-(1-methylethyl)-
CAS No: 84963-32-6 Catalog No: AG004UTB MDL No:
Product Description
Catalog Number:
AG004UTB
Chemical Name:
Bicyclo[2.2.2]octane-2-carbonitrile,5-methyl-7-(1-methylethyl)-
CAS Number:
84963-32-6
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
IUPAC Name:
5-methyl-7-propan-2-ylbicyclo[2.2.2]octane-2-carbonitrile
InChI:
InChI=1S/C13H21N/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h8-13H,4-6H2,1-3H3
InChI Key:
MINUNWAHCZXVOB-UHFFFAOYSA-N
SMILES:
N#CC1CC2CC(C1CC2C)C(C)C
EC Number:
284-834-2
Properties
Complexity:
260
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:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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