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144335-21-7 | 4-Azatricyclo[2.2.1.02,6]heptane-1-carbonitrile (9CI)
CAS No: 144335-21-7 Catalog No: AG001JC3 MDL No:
Product Description
Catalog Number:
AG001JC3
Chemical Name:
4-Azatricyclo[2.2.1.02,6]heptane-1-carbonitrile (9CI)
CAS Number:
144335-21-7
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
IUPAC Name:
4-azatricyclo[2.2.1.02,6]heptane-1-carbonitrile
InChI:
InChI=1S/C7H8N2/c8-3-7-4-9-1-5(7)6(7)2-9/h5-6H,1-2,4H2
InChI Key:
CMEDUYASVRQMKB-UHFFFAOYSA-N
SMILES:
N#CC12CN3CC1C2C3
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.069g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.155g/mol
Monoisotopic Mass:
120.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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