548-82-3

Name PINOBANKSIN
CAS 548-82-3
Molecular Formula C15H12O5
MDL Number MFCD07784478
Molecular Weight 272.25
MOL File 548-82-3.mol
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Chemical Properties

Melting point  173-175 °C(Solv: methanol (67-56-1))
Boiling point  570.6±50.0 °C(Predicted)
density  1.497±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 7.40±0.60(Predicted)
color  White to Off-White
BRN  91238
Stability: Hygroscopic
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1
InChIKey SUYJZKRQHBQNCA-LSDHHAIUSA-N
SMILES O=C1[C@@H]([C@@H](C2C=CC=CC=2)OC2=CC(=CC(=C21)O)O)O
LogP 3.150 (est)

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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