AC1NF9WD
5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Also Known As: 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H|5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde|5-[(2-Hydroxy-5-nitrophenyl)methyl]-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
CAS: 31349-29-8
| Molecular Formula | C12H9N3O5S |
|---|---|
| Molecular Weight | 307.0263 g/mol |
| LogP | 1.44959 |
| Topological Polar Surface Area | 129.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.0263 |
| Monoisotopic Mass | 307.0263 |
| Heavy Atoms | 21 |
| Complexity | 839.517 |
Chemical Identifiers
| CAS Number | 31349-29-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CC2=C(NC(=S)NC2=O)C=O)O |
Product Overview
AC1NF9WD (CAS 31349-29-8), with molecular formula C12H9N3O5S and molecular weight 307.0263 g/mol. IUPAC: 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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