876715-82-1
| Name | 3,5,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLIC ACID |
| CAS | 876715-82-1 |
| Molecular Formula | C12H13NO2 |
| MDL Number | MFCD07186365 |
| Molecular Weight | 203.24 |
| MOL File | 876715-82-1.mol |
Chemical Properties
| Boiling point | 416.0±40.0 °C(Predicted) |
| density | 1.245±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 4.29±0.30(Predicted) |
| InChI | 1S/C12H13NO2/c1-6-4-7(2)10-9(5-6)8(3)11(13-10)12(14)15/h4-5,13H,1-3H3,(H,14,15) |
| InChIKey | XFNONUNNILCXRU-UHFFFAOYSA-N |
| SMILES | O=C(O)C1=C(C)C2=CC(C)=CC(C)=C2N1 |
Safety Data
| Hazard Codes | Xi,Xn |
| Risk Statements | |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |