4,6-Dihydroxy-5-nitropyrimidine - CAS 2164-83-2
Catalog: |
BB017042 |
Product Name: |
4,6-Dihydroxy-5-nitropyrimidine |
CAS: |
2164-83-2 |
Synonyms: |
4-hydroxy-5-nitro-1H-pyrimidin-6-one |
IUPAC Name: | 4-hydroxy-5-nitro-1H-pyrimidin-6-one |
Description: | 4,6-Dihydroxy-5-nitropyrimidine (CAS# 2164-83-2) is a compound useful in organic synthesis. |
Molecular Weight: | 157.08 |
Molecular Formula: | C4H3N3O4 |
Canonical SMILES: | C1=NC(=C(C(=O)N1)[N+](=O)[O-])O |
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 |
Boiling Point: | 303.5 °C at 760 mmHg |
Density: | 2.02 g/cm3 |
MDL: | MFCD00006110 |
LogP: | 0.31920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20161835 | 20090616 | A high throughput assay to identify small molecule modulators of prostatic acid phosphatase | Current chemical genomics |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01235559 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01235559 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 108 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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