59170-17-1

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59170-17-1 Structure

Identification	Back Directory
[Name] Benzoic acid, 5-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-3-methoxy-, methyl ester
[CAS] 59170-17-1
[Synonyms] Benzoic acid, 5-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-3-methoxy-, methyl ester
[Molecular Formula] C18H18O8
[MOL File] 59170-17-1.mol
[Molecular Weight] 362.33

Chemical Properties	Back Directory
[Melting point ] 184-186 °C
[Boiling point ] 523.0±50.0 °C(Predicted)
[density ] 1.327±0.06 g/cm3(Predicted)
[storage temp. ] -20°C
[solubility ] DMSO: 1mg/mL
[form ] solid
[pka] 8.71±0.25(Predicted)
[Major Application] metabolomics vitamins, nutraceuticals, and natural products
[InChI] 1S/C18H18O8/c1-9-5-12(20)15(18(22)25-4)13(6-9)26-16-11(17(21)24-3)7-10(19)8-14(16)23-2/h5-8,19-20H,1-4H3
[InChIKey] KYDNOVLBVBYOSW-UHFFFAOYSA-N
[SMILES] OC1=CC(OC)=C(OC2=C(C(O)=CC(C)=C2)C(OC)=O)C(C(OC)=O)=C1

Safety Data	Back Directory
[WGK Germany ] WGK 3
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Uses] metabolomics vitamins, nutraceuticals, and natural products
[Definition] ChEBI: Methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate is an aromatic ether.
[Biological Activity] GPCR ligand

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