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22905-25-5 | 2,6-Piperidinedicarbonitrile, 1-nitroso-
CAS No: 22905-25-5 Catalog No: AG002LG0 MDL No:
Product Description
Catalog Number:
AG002LG0
Chemical Name:
2,6-Piperidinedicarbonitrile, 1-nitroso-
CAS Number:
22905-25-5
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
1-nitrosopiperidine-2,6-dicarbonitrile
InChI:
InChI=1S/C7H8N4O/c8-4-6-2-1-3-7(5-9)11(6)10-12/h6-7H,1-3H2
InChI Key:
OQRRSHAAPDDUGY-UHFFFAOYSA-N
SMILES:
N#CC1CCCC(N1N=O)C#N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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