AC1NR5YC
2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy]propanoic acid
Also Known As: 2-{4-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy}propanoic acid|2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitro-phenoxy]propanoic Acid|2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy]propanoic acid
CAS: 5487-20-7
| Molecular Formula | C20H17N3O8 |
|---|---|
| Molecular Weight | 427.10156 g/mol |
| LogP | 1.9167 |
| Topological Polar Surface Area | 148.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.10156 |
| Monoisotopic Mass | 427.10156 |
| Heavy Atoms | 31 |
| Complexity | 1097.1039 |
Chemical Identifiers
| CAS Number | 5487-20-7 |
|---|---|
| SMILES | CC(C(=O)O)OC1=C(C=C(C=C1OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
AC1NR5YC (CAS 5487-20-7), with molecular formula C20H17N3O8 and molecular weight 427.10156 g/mol. IUPAC: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy]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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