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14906-59-3 | 4-Pyridinecarbonitrile, 1-oxide
CAS No: 14906-59-3 Catalog No: AG001LDP MDL No:MFCD00006205
Product Description
Catalog Number:
AG001LDP
Chemical Name:
4-Pyridinecarbonitrile, 1-oxide
CAS Number:
14906-59-3
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD00006205
IUPAC Name:
1-oxidopyridin-1-ium-4-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-5-6-1-3-8(9)4-2-6/h1-4H
InChI Key:
QNCSFBSIWVBTHE-UHFFFAOYSA-N
SMILES:
N#Cc1cc[n+](cc1)[O-]
EC Number:
238-974-6
NSC Number:
132883
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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