Compound C13H13NO5
2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CAS: 91119-98-1
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.25 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 83.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 91119-98-1 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=O)COC2=C1C=C(C=C2)C(=O)C |
| InChIKey | GCDTUDIFXGRFCU-UHFFFAOYSA-N |
📖 Product Overview
Compound C13H13NO5 (CAS: 91119-98-1) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.25 g/mol. Its IUPAC systematic name is 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid.
GCDTUDIFXGRFCU-UHFFFAOYSA-N.
SMILES: CC(C(=O)O)N1C(=O)COC2=C1C=C(C=C2)C(=O)C.
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.
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