51768-38-8

Name 3-O-Methylellagic acid
CAS 51768-38-8
Molecular Formula C15H8O8
Molecular Weight 316.22
MOL File 51768-38-8.mol

Chemical Properties

Boiling point  734.3±60.0 °C(Predicted)
density  1.840±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
form  neat
pka 5.49±0.20(Predicted)
BRN  1403110
InChI 1S/C15H8O8/c1-21-11-7(17)3-5-9-8-4(15(20)23-13(9)11)2-6(16)10(18)12(8)22-14(5)19/h2-3,16-18H,1H3
InChIKey FAARLWTXUUQFSN-UHFFFAOYSA-N
SMILES COc1c(O)cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc1c2-c34

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P501
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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