| Melting point |
173-174 °C |
| Boiling point |
562.2±50.0 °C(Predicted) |
| Density |
1.307±0.06 g/cm3(Predicted) |
| solubility |
H2O: insoluble <0.11mg/mL |
| form |
solid |
| pka |
2.80±0.10(Predicted) |
| color |
white |
| optical activity |
[α]27/D +18.1°, c = 0.7 in methanol(lit.) |
| Water Solubility |
H2O: insoluble <0.11mg/mL
DMSO: >20mg/mL
0.1 M HCl: insoluble
0.1 M NaOH: soluble
ethanol: soluble |
| InChI |
1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)/t20-/m0/s1 |
| InChIKey |
YAWWQIFONIPBKT-FQEVSTJZSA-N |
| SMILES |
CCCC[C@]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 |
