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Home > Nitro Compounds > 1979-97-1
1979-97-1 | 4(3H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-5-nitro-
CAS No: 1979-97-1 Catalog No: AG002B5L MDL No:MFCD27946912
Product Description
Catalog Number:
AG002B5L
Chemical Name:
4(3H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-5-nitro-
CAS Number:
1979-97-1
Molecular Formula:
C5H5N3O4S
Molecular Weight:
203.1759
MDL Number:
MFCD27946912
IUPAC Name:
4-hydroxy-2-methylsulfanyl-5-nitro-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H5N3O4S/c1-13-5-6-3(9)2(8(11)12)4(10)7-5/h1H3,(H2,6,7,9,10)
InChI Key:
LMCNSMCHUYZUFF-UHFFFAOYSA-N
SMILES:
CSc1nc(O)c(c(=O)[nH]1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.172g/mol
Monoisotopic Mass:
203g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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