Home Nitriles 6-hydroxypyrimidine-4-carbonitrile

6-hydroxypyrimidine-4-carbonitrile

CAS No.:
1192064-61-1
Catalog Number:
AG01AFR5
Molecular Formula:
C5H3N3O
Molecular Weight:
121.0968
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Product Description
Catalog Number:
AG01AFR5
Chemical Name:
6-hydroxypyrimidine-4-carbonitrile
CAS Number:
1192064-61-1
Molecular Formula:
C5H3N3O
Molecular Weight:
121.0968
MDL Number:
MFCD27980650
IUPAC Name:
6-oxo-1H-pyrimidine-4-carbonitrile
InChI:
InChI=1S/C5H3N3O/c6-2-4-1-5(9)8-3-7-4/h1,3H,(H,7,8,9)
InChI Key:
UKIHWDBYRWTOBR-UHFFFAOYSA-N
SMILES:
Oc1cc(ncn1)C#N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.028g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
121.099g/mol
Monoisotopic Mass:
121.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties