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154566-12-8

Name SB 204990
CAS 154566-12-8
Molecular Formula C18H22Cl2O5
Molecular Weight 389.27
MOL File 154566-12-8.mol
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Chemical Properties

Melting point  87-89 °C
Boiling point  571.6±40.0 °C(Predicted)
density  1.332±0.06 g/cm3(Predicted)
solubility  DMF: 30 mg/ml; DMF:PBS(pH7.2) (1:2): 0.33 mg/ml; DMSO: 20 mg/ml; Ethanol: 1 mg/ml
form  A crystalline solid
pka 4.33±0.10(Predicted)
color  White to off-white
InChI InChI=1/C18H22Cl2O5/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14-10-18(24,11-16(21)22)17(23)25-14/h7-9,14,24H,1-6,10-11H2,(H,21,22)/t14-,18+/s3
InChIKey YTRNLFYTHYWDAU-RVFWCEGZNA-N
SMILES O1[C@@H](CCCCCCC2=CC=C(Cl)C=C2Cl)C[C@@](O)(CC(O)=O)C1=O |&1:1,17,r|

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