130016-75-0
| Name | 2-(2,5-DIMETHYL-PYRROL-1-YL)-3-PHENYL-PROPIONIC ACID |
| CAS | 130016-75-0 |
| Molecular Formula | C15H17NO2 |
| MDL Number | MFCD02302095 |
| Molecular Weight | 243.3 |
| MOL File | 130016-75-0.mol |
Chemical Properties
| Boiling point | 409.8±45.0 °C(Predicted) |
| density | 1.10±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 2.59±0.10(Predicted) |
| InChI | 1S/C15H17NO2/c1-11-8-9-12(2)16(11)14(15(17)18)10-13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3,(H,17,18) |
| InChIKey | CIUPYBFUPLMRLH-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C)n1C(Cc2ccccc2)C(O)=O |
Safety Data
| Hazard Codes | Xi,Xn |
| Risk Statements | |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |