14101-04-3

Name FRANGULIN B
CAS 14101-04-3
EINECS(EC#) 237-953-9
Molecular Formula C20H18O9
MDL Number MFCD00016362
Molecular Weight 402.35
MOL File 14101-04-3.mol
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Chemical Properties

Melting point  196℃
Boiling point  774.6±60.0 °C(Predicted)
density  1.655±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  2-8°C
form  neat
pka 6.01±0.20(Predicted)
InChI 1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1
InChIKey AEQMIFRODRFTJF-SLFFLAALSA-N
SMILES OC[C@]1(O)[C@@H](O)[C@@H](OC1)OC2=CC(O)=C3C(C(C(C=C(C)C=C4O)=C4C3=O)=O)=C2
LogP 3.660 (est)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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