5-hydroxypyrimidine-2-carbonitrile


Chemical Name: 5-hydroxypyrimidine-2-carbonitrile
CAS Number: 345642-86-6
Product Number: AG00C6ZL(AGN-PC-07AAF9)
Synonyms:
MDL No:
Molecular Formula: C5H3N3O
Molecular Weight: 121.0968

Identification/Properties


Computed Properties
Molecular Weight:
121.099g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
121.028g/mol
Monoisotopic Mass:
121.028g/mol
Topological Polar Surface Area:
69.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
130
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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