4-oxo-1H-pyridine-3-carbonitrile


Chemical Name: 4-oxo-1H-pyridine-3-carbonitrile
CAS Number: 100367-56-4
Product Number: AG0001QP(AGN-PC-0KYFP6)
Synonyms:
MDL No:
Molecular Formula: C6H4N2O
Molecular Weight: 120.1088

Identification/Properties


Computed Properties
Molecular Weight:
120.111g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
120.032g/mol
Monoisotopic Mass:
120.032g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
241
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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