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2643-85-8

Name OXYPEUCEDANINHYDRATE
CAS 2643-85-8
Molecular Formula C16H16O6
Molecular Weight 304.29
MOL File 2643-85-8.mol
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Chemical Properties

Melting point  187-188℃
Boiling point  544.3±50.0 °C(Predicted)
density  1.386±0.06 g/cm3 (20 ºC 760 Torr)
solubility  Soluble in acetone, chloroform and methan
form  powder
pka 13.80±0.20(Predicted)
color  White
InChI InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1
InChIKey PEWFWDOPJISUOK-CYBMUJFWSA-N
SMILES C1(=O)OC2=CC3OC=CC=3C(OC[C@@H](O)C(O)(C)C)=C2C=C1
LogP 1.575 (est)

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H317
Precautionary statements  P261-P264-P270-P272-P280-P301+P312-P330-P302+P352-P333+P313-P321-P363-P501

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