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26351-19-9 | 2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, hydrate (1:1)
CAS No: 26351-19-9 Catalog No: AG002SVF MDL No:MFCD00149401
Product Description
Catalog Number:
AG002SVF
Chemical Name:
2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, hydrate (1:1)
CAS Number:
26351-19-9
Molecular Formula:
C4H5N3O5
Molecular Weight:
175.0996
MDL Number:
MFCD00149401
IUPAC Name:
6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione;hydrate
InChI:
InChI=1S/C4H3N3O4.H2O/c8-2-1(7-11)3(9)6-4(10)5-2;/h(H3,5,6,8,9,10);1H2
InChI Key:
QJGCOHAQRQNJFS-UHFFFAOYSA-N
SMILES:
ON=C1C(=O)NC(=O)NC1=O.O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
175.1g/mol
Monoisotopic Mass:
175.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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