Identification Chemical Properties Hazard Information Supplier

51415-00-0

Name Batatasin I
CAS 51415-00-0
Molecular Formula C17H16O4
MDL Number MFCD30474870
Molecular Weight 284.31
MOL File 51415-00-0.mol
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Chemical Properties

Melting point  131-132 °C
Boiling point  493.7±40.0 °C(Predicted)
density  1.246±0.06 g/cm3(Predicted)
form  Solid
pka 9.33±0.30(Predicted)
color  White to off-white
InChI InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3
InChIKey KGYHMWVRKYFQQR-UHFFFAOYSA-N
SMILES C1=C2C(C3C(C=C2)=CC(OC)=CC=3OC)=CC(O)=C1OC

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