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16462-28-5 | 5-Pyrimidinecarbonitrile, 6-amino-1,2-dihydro-2-oxo-
CAS No: 16462-28-5 Catalog No: AG001V01 MDL No:MFCD00767571
Product Description
Catalog Number:
AG001V01
Chemical Name:
5-Pyrimidinecarbonitrile, 6-amino-1,2-dihydro-2-oxo-
CAS Number:
16462-28-5
Molecular Formula:
C5H4N4O
Molecular Weight:
136.1115
MDL Number:
MFCD00767571
IUPAC Name:
6-amino-2-oxo-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C5H4N4O/c6-1-3-2-8-5(10)9-4(3)7/h2H,(H3,7,8,9,10)
InChI Key:
KFDKBQHGALFUAJ-UHFFFAOYSA-N
SMILES:
Nc1c(cnc(=O)[nH]1)C#N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.039g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
136.114g/mol
Monoisotopic Mass:
136.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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