1884-59-9
| Name | 1H-Indole-1-butanoic acid |
| CAS | 1884-59-9 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.24 |
| MOL File | 1884-59-9.mol |
Chemical Properties
| Melting point | 70 °C |
| Boiling point | 180 °C(Press: 2 Torr) |
| density | 1.16±0.1 g/cm3(Predicted) |
| form | powder |
| pka | 4.76±0.10(Predicted) |
| InChI | 1S/C12H13NO2/c14-12(15)6-3-8-13-9-7-10-4-1-2-5-11(10)13/h1-2,4-5,7,9H,3,6,8H2,(H,14,15) |
| InChIKey | MQLJZFAKVWTELE-UHFFFAOYSA-N |
| SMILES | O=C(O)CCCN1C2=CC=CC=C2C=C1 |