40737-97-1

Name Graniline
CAS 40737-97-1
Molecular Formula C15H20O4
MDL Number MFCD34471616
Molecular Weight 264.32
MOL File 40737-97-1.mol
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Chemical Properties

Boiling point  469.8±45.0 °C(Predicted)
density  1.24±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : ≥ 100 mg/mL (378.33 mM)
form  Solid
pka 14.41±0.60(Predicted)
color  White to off-white
InChI InChI=1S/C15H20O4/c1-7-9-4-10-8(2)11(16)5-13(17)15(10,3)6-12(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13+,15-/m1/s1
InChIKey ZEIYNPAINVEWGP-PVZBEVCSSA-N
SMILES O1C(=O)C(=C)[C@@]2([H])C[C@]3([H])[C@@](C)(C[C@@]12[H])[C@@H](O)C[C@@H](O)C3=C

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