2-(1,3-Benzodioxol-5-ylamino)benzoic acid
2-(1,3-benzodioxol-5-ylamino)benzoic acid
Also Known As: 2-(1,3-benzodioxol-5-ylamino)benzoic acid|benzoic acid, 2-(1,3-benzodioxol-5-ylamino)-|N-(1,3-benzodioxo-5-ylamino)benzoic acid|2-(1,3-Benzodioxole-5-ylamino)benzoic acid|2-benzo[1,3]dioxol-5-ylamino-benzoic acid|2-[(2H-1,3-benzodioxol-5-yl)amino]benzoic acid|2-[(1,3-Benzodioxol-5-yl)amino]benzoic acid
CAS: 5876-53-9
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.06882 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Monoisotopic Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 5876-53-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=CC=CC=C3C(=O)O |
| InChIKey | SZNBYURCUPNFSH-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-ylamino)benzoic acid (CAS 5876-53-9), with molecular formula C14H11NO4 and molecular weight 257.06882 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylamino)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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