4-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID
- Product Name4-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID
- CAS3130-75-4
- MFC12H11NO4
- MW233.22
- EINECS200-589-5
- MOL File3130-75-4.mol
Chemical Properties
| Melting point | 119-121°C |
| Boiling point | 442.1±28.0 °C(Predicted) |
| Density | 1.389 |
| storage temp. | -20°C Freezer, Under inert atmosphere |
| solubility | Chloroform (Slightly), DMSO (Slightly) |
| pka | 4.63±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| λmax | 290nm(EtOH)(lit.) |
| InChI | InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15) |
| InChIKey | HMKSXJBFBVGLJJ-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1CCCC(O)=O |
| CAS DataBase Reference | 3130-75-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| RTECS | NR3459000 |
| HazardClass | IRRITANT |
| HS Code | 2933599590 |
