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Home > Other Heterocycles > 1394041-30-5
1394041-30-5 | 1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
CAS No: 1394041-30-5 Catalog No: AG019ZGL MDL No:MFCD02151999
Product Description
Catalog Number:
AG019ZGL
Chemical Name:
1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
CAS Number:
1394041-30-5
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
MDL Number:
MFCD02151999
IUPAC Name:
1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
InChI:
InChI=1S/C11H17N/c1-10(2)8-4-5-11(3,6-8)9(10)7-12/h8-9H,4-6H2,1-3H3
InChI Key:
OHWRGMHXQWAJAZ-UHFFFAOYSA-N
SMILES:
N#CC1C2(C)CCC(C1(C)C)C2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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