5947-49-9

Name PODOCARPIC ACID
CAS 5947-49-9
EINECS(EC#) 227-706-3
Molecular Formula C17H22O3
MDL Number MFCD00074825
Molecular Weight 274.35
MOL File 5947-49-9.mol
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Chemical Properties

Melting point  193-196 °C (lit.)
alpha  20546 +165° (c = 4 in abs ethanol)
Boiling point  449.6±45.0 °C(Predicted)
density  1.182±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: ≥ 100 mg/mL (364.50 mM)
form  Solid
pka 4.66±0.40(Predicted)
color  White to off-white
Optical Rotation [α]20/D +133°, c = 4 in ethanol
Merck  13,7625
InChI 1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1
InChIKey VJILEYKNALCDDV-OIISXLGYSA-N
SMILES [H][C@@]12CCc3ccc(O)cc3[C@@]1(C)CCC[C@]2(C)C(O)=O

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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