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Home > Nitro Compounds > 63447-42-7
63447-42-7 | 5-Nitropyrimidine-4,6(1H,5H)-dione
CAS No: 63447-42-7 Catalog No: AG00F620 MDL No:
Product Description
Catalog Number:
AG00F620
Chemical Name:
5-Nitropyrimidine-4,6(1H,5H)-dione
CAS Number:
63447-42-7
IUPAC Name:
5-nitro-1H-pyrimidine-4,6-dione
InChI:
InChI=1S/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1-2H,(H,5,6,8,9)
InChI Key:
OGNJUDFNDMPDSL-UHFFFAOYSA-N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.085g/mol
Monoisotopic Mass:
157.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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