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Home > Nitro Compounds > 2164-83-2
2164-83-2 | 4,6-Dihydroxy-5-nitropyrimdine
CAS No: 2164-83-2 Catalog No: AG003KJK MDL No:MFCD00006110
Product Description
Catalog Number:
AG003KJK
Chemical Name:
4,6-Dihydroxy-5-nitropyrimdine
CAS Number:
2164-83-2
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
MDL Number:
MFCD00006110
IUPAC Name:
4-hydroxy-5-nitro-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9)
InChI Key:
ABTLZAVJDRUDNG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)ncnc1O
EC Number:
218-504-6
NSC Number:
36909
Properties
Complexity:
274
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.085g/mol
Monoisotopic Mass:
157.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| A high throughput assay to identify small molecule modulators of prostatic acid phosphatase. | Current chemical genomics 20090101 |
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