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81496-81-3

Name DHQHS 1
CAS 81496-81-3
EINECS(EC#) 617-239-7
Molecular Formula C15H24O5
MDL Number MFCD00274495
Molecular Weight 284.35
MOL File 81496-81-3.mol
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Chemical Properties

Melting point  142-144°C
Boiling point  375.6±42.0 °C(Predicted)
density  1.24±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Solid
pka 12.61±0.70(Predicted)
color  White to Off-White
InChI InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14-,15-/m1/s1
InChIKey BJDCWCLMFKKGEE-KDTBHNEXSA-N
SMILES O1[C@]23[C@@]4([H])O[C@@](C)(CC[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)[C@H](O)O4)O1

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