69363-14-0

Name schisanhenol
CAS 69363-14-0
Molecular Formula C23H30O6
MDL Number MFCD28411506
Molecular Weight 402.481
MOL File 69363-14-0.mol
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Chemical Properties

Melting point  130 °C
Boiling point  563.9±50.0 °C(Predicted)
density  1.118±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  2-8°C
solubility  Soluble in chloroform and DMSO
form  powder to crystal
pka 8.96±0.60(Predicted)
color  White to Almost white
InChI InChI=1/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/s3
InChIKey FYSHYFPJBONYCQ-JNEKIBDFNA-N
SMILES C12=CC(OC)=C(OC)C(O)=C1C1=C(OC)C(OC)=C(OC)C=C1C[C@@H](C)[C@@H](C)C2 |&1:24,26,r|
CAS DataBase Reference 69363-14-0

Safety Data

HS Code  2909.30.6000

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