2-(Cyanomethyl)benzoic acid
- Product Name2-(Cyanomethyl)benzoic acid
- CAS6627-91-4
- MFC9H7NO2
- MW161.16
- EINECS229-602-3
- MOL File6627-91-4.mol
Chemical Properties
| Melting point | 126 °C |
| Boiling point | 348.8±17.0 °C(Predicted) |
| Density | 1.257±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | solid |
| pka | 3.66±0.36(Predicted) |
| InChI | 1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey | AGXBHBJDSLZGAP-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1CC#N |
| CAS DataBase Reference | 6627-91-4(CAS DataBase Reference) |
