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3346-22-3 | 6-Amino-5-nitrouracil
CAS No: 3346-22-3 Catalog No: AG003N2O MDL No:MFCD00603522
Product Description
Catalog Number:
AG003N2O
Chemical Name:
6-Amino-5-nitrouracil
CAS Number:
3346-22-3
Molecular Formula:
C4H4N4O4
Molecular Weight:
172.0990
MDL Number:
MFCD00603522
IUPAC Name:
6-amino-5-nitro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C4H4N4O4/c5-2-1(8(11)12)3(9)7-4(10)6-2/h(H4,5,6,7,9,10)
InChI Key:
SNNFJRQZJGEAQU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)[nH]c(=O)[nH]c1=O
NSC Number:
99321
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.1g/mol
Monoisotopic Mass:
172.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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