Home Nitriles 4,6-dihydroxypyrimidine-5-carbonitrile

4,6-dihydroxypyrimidine-5-carbonitrile

CAS No.:
1936377-42-2
Catalog Number:
AG01B1CK
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
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Product Description
Catalog Number:
AG01B1CK
Chemical Name:
4,6-dihydroxypyrimidine-5-carbonitrile
CAS Number:
1936377-42-2
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
MDL Number:
MFCD31617110
IUPAC Name:
4-hydroxy-6-oxo-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C5H3N3O2/c6-1-3-4(9)7-2-8-5(3)10/h2H,(H2,7,8,9,10)
InChI Key:
ZTTZQYHGZCMWPG-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)ncnc1O
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
137.098g/mol
Monoisotopic Mass:
137.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties