98619-25-1

Name Arisantetralone C
CAS 98619-25-1
Molecular Formula C21H24O5
MDL Number MFCD21333770
Molecular Weight 356.41
MOL File 98619-25-1.mol
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Chemical Properties

Melting point  180-181℃
Boiling point  508.2±50.0 °C(Predicted)
density  1.159±0.06 g/cm3(Predicted)
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Cryst.
pka 9.38±0.70(Predicted)
color  White to off-white
InChI InChI=1S/C21H24O5/c1-11-12(2)21(23)15-9-16(22)18(25-4)10-14(15)20(11)13-6-7-17(24-3)19(8-13)26-5/h6-12,20,22H,1-5H3/t11-,12+,20-/m1/s1
InChIKey DRKPZVVNEGETTG-XAAFQQQXSA-N
SMILES C1(=O)C2=C(C=C(OC)C(O)=C2)[C@@H](C2=CC=C(OC)C(OC)=C2)[C@H](C)[C@@H]1C

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