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13218-12-7 | 2,4,6-Pyridinetricarbonitrile, 1-oxide
CAS No: 13218-12-7 Catalog No: AG0010CQ MDL No:
Product Description
Catalog Number:
AG0010CQ
Chemical Name:
2,4,6-Pyridinetricarbonitrile, 1-oxide
CAS Number:
13218-12-7
Molecular Formula:
C8H2N4O
Molecular Weight:
170.1277
IUPAC Name:
1-oxidopyridin-1-ium-2,4,6-tricarbonitrile
InChI:
InChI=1S/C8H2N4O/c9-3-6-1-7(4-10)12(13)8(2-6)5-11/h1-2H
InChI Key:
BJGDBCRKGROPDH-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)[n+](c(c1)C#N)[O-]
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.131g/mol
Monoisotopic Mass:
170.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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