685853-68-3
| Name | AURORA 21587 |
| CAS | 685853-68-3 |
| Molecular Formula | C13H17NO3 |
| MDL Number | MFCD04064701 |
| Molecular Weight | 235.28 |
| MOL File | 685853-68-3.mol |
Chemical Properties
| Boiling point | 403.5±25.0 °C(Predicted) |
| density | 1.109±0.06 g/cm3(Predicted) |
| form | solid |
| pka | -0.90±0.70(Predicted) |
| InChI | 1S/C13H17NO3/c1-3-14(4-2)13(16)10-17-12-7-5-11(9-15)6-8-12/h5-9H,3-4,10H2,1-2H3 |
| InChIKey | HVIDYQCYIDTDFR-UHFFFAOYSA-N |
| SMILES | O=C(COC(C=C1)=CC=C1C=O)N(CC)CC |