AC1N37PX
ethyl 4-[[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-pyridin-2-ylmethyl]amino]benzoate
Also Known As: SDCCGSBI-0660151.P001|AB00686348-01|ethyl 4-({[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](pyridin-2-yl)methyl}amino)benzoate|ethyl 4-[[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-pyridin-2-ylmethyl]amino]benzoate
CAS: 690641-26-0
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13214 g/mol |
| LogP | 2.6109 |
| Topological Polar Surface Area | 121.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.13214 |
| Monoisotopic Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 1031.287 |
Chemical Identifiers
| CAS Number | 690641-26-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=CC=N2)C3=C(C(=O)C=C(O3)CO)O |
Product Overview
AC1N37PX (CAS 690641-26-0), with molecular formula C21H20N2O6 and molecular weight 396.13214 g/mol. IUPAC: ethyl 4-[[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-pyridin-2-ylmethyl]amino]benzoate.
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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