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97315-60-1 | 1H,5H-Benzo[ij]quinolizine-9-carbonitrile, 2,3,6,7-tetrahydro-
CAS No: 97315-60-1 Catalog No: AG00IJXF MDL No:
Product Description
Catalog Number:
AG00IJXF
Chemical Name:
1H,5H-Benzo[ij]quinolizine-9-carbonitrile, 2,3,6,7-tetrahydro-
CAS Number:
97315-60-1
IUPAC Name:
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbonitrile
InChI:
InChI=1S/C13H14N2/c14-9-10-7-11-3-1-5-15-6-2-4-12(8-10)13(11)15/h7-8H,1-6H2
InChI Key:
BXODSMVXUSYGPD-UHFFFAOYSA-N
NSC Number:
160041
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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