4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid
4-[(1,3-dioxoinden-5-yl)methylamino]benzoic acid
Also Known As: DL 040|DL-040|4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid|4-[(1,3-dioxoinden-5-yl)methylamino]benzoic acid|4-{[(1,3-dioxo-2,3-dihydro-1h-inden-5-yl)methyl]amino}benzoic acid|Benzoic acid, 4-(((2,3-dihydro-1,3-dioxo-1H-inden-5-yl)methyl)amino)-
CAS: 6312-08-9
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08447 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.08447 |
| Monoisotopic Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 6312-08-9 |
|---|---|
| SMILES | C1C(=O)C2=C(C1=O)C=C(C=C2)CNC3=CC=C(C=C3)C(=O)O |
| InChIKey | WIWILTAFJMWUBL-UHFFFAOYSA-N |
Product Overview
4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid (CAS 6312-08-9), with molecular formula C17H13NO4 and molecular weight 295.08447 g/mol. IUPAC: 4-[(1,3-dioxoinden-5-yl)methylamino]benzoic 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.
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