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65010-65-3 | 3-Pyridinecarbonitrile, N-oxide
CAS No: 65010-65-3 Catalog No: AG00H6BJ MDL No:
Product Description
Catalog Number:
AG00H6BJ
Chemical Name:
3-Pyridinecarbonitrile, N-oxide
CAS Number:
65010-65-3
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
IUPAC Name:
1-oxidopyridin-1-ium-3-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H
InChI Key:
WOOVSQCALYYUDO-UHFFFAOYSA-N
SMILES:
[O-][N+]#Cc1cccnc1
EC Number:
238-975-1
NSC Number:
170850
Properties
Complexity:
137
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:
-0.5
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