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16317-18-3 | Bicyclo[2.2.2]octane-2-carbonitrile, 3-(1-pyrrolidinyl)-, trans- (8CI)
CAS No: 16317-18-3 Catalog No: AG001TUI MDL No:
Product Description
Catalog Number:
AG001TUI
Chemical Name:
Bicyclo[2.2.2]octane-2-carbonitrile, 3-(1-pyrrolidinyl)-, trans- (8CI)
CAS Number:
16317-18-3
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
IUPAC Name:
3-pyrrolidin-1-ylbicyclo[2.2.2]octane-2-carbonitrile
InChI:
InChI=1S/C13H20N2/c14-9-12-10-3-5-11(6-4-10)13(12)15-7-1-2-8-15/h10-13H,1-8H2
InChI Key:
XPSZDEUMYCMSAL-UHFFFAOYSA-N
SMILES:
N#CC1C2CCC(C1N1CCCC1)CC2
NSC Number:
92999
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.163g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.317g/mol
Monoisotopic Mass:
204.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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