AC1MFLAJ
methyl 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: Lauryl 3-mercaptopropionate|Oprea1_808666|AB00106581-01|Methyl 4-(4-hydroxy-3-nitro-phenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate|methyl 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate|methyl 4-(4-hydroxy-3-nitrophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|methyl 4-(4-hydroxy-3-nitrophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C14H15N3O6 |
|---|---|
| Molecular Weight | 321.0961 g/mol |
| LogP | 1.4435 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0961 |
| Monoisotopic Mass | 321.0961 |
| Heavy Atoms | 23 |
| Complexity | 727.22284 |
Chemical Identifiers
| CAS Number | 6380-94-5 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OC |
Product Overview
AC1MFLAJ (CAS 6380-94-5), with molecular formula C14H15N3O6 and molecular weight 321.0961 g/mol. IUPAC: methyl 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
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