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Home > Other Heterocycles > 91817-61-7
91817-61-7 | Acetonitrile, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-
CAS No: 91817-61-7 Catalog No: AG0068VO MDL No:
Product Description
Catalog Number:
AG0068VO
Chemical Name:
Acetonitrile, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-
CAS Number:
91817-61-7
Molecular Formula:
C10H14N2
Molecular Weight:
162.2316
IUPAC Name:
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile
InChI:
InChI=1S/C10H14N2/c1-12-9-2-3-10(12)7-8(6-9)4-5-11/h4,9-10H,2-3,6-7H2,1H3
InChI Key:
BEMIIPSHLWBOLS-UHFFFAOYSA-N
SMILES:
CN1C2CCC1CC(=CC#N)C2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.116g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.236g/mol
Monoisotopic Mass:
162.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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