AC1MJP50
3-[3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid
Also Known As: BAS 02323369|SR-01000489925-1|3-[3-Acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid|3-[3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid|3-[3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid
CAS: 5139-82-2
| Molecular Formula | C16H17NO7 |
|---|---|
| Molecular Weight | 335.1005 g/mol |
| LogP | 1.1599 |
| Topological Polar Surface Area | 124.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.1005 |
| Monoisotopic Mass | 335.1005 |
| Heavy Atoms | 24 |
| Complexity | 737.9415 |
Chemical Identifiers
| CAS Number | 5139-82-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)CCC(=O)O)O |
Product Overview
AC1MJP50 (CAS 5139-82-2), with molecular formula C16H17NO7 and molecular weight 335.1005 g/mol. IUPAC: 3-[3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid.
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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