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28831-65-4

Name lithospermic acid
CAS 28831-65-4
Molecular Formula C27H22O12
MDL Number MFCD03427311
Molecular Weight 538.46
MOL File 28831-65-4.mol
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Chemical Properties

Melting point  183-188 °C
Boiling point  862.6±65.0 °C(Predicted)
density  1.642±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
solubility  Soluble in methan
form  powder
pka 2.77±0.10(Predicted)
color  White
InChIKey UJZQBMQZMKFSRV-RGKBJLTCSA-N
SMILES O1C2=C(O)C=CC(/C=C/C(O[C@@H](C(O)=O)CC3=CC=C(O)C(O)=C3)=O)=C2[C@H](C(O)=O)[C@H]1C1=CC=C(O)C(O)=C1

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