3-O-Caffeoylquinic acid methyl ester

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Names

[ CAS No. ]:
123483-19-2

[ Name ]:
3-O-Caffeoylquinic acid methyl ester

[Synonym ]:
Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate
Chlorogenic acid methyl ester, Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate
Methyl (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylate
E6GC3KV7JK
Methyl chlorogenate
Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
577.0±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C17H20O9

[ Molecular Weight ]:
368.335

[ Flash Point ]:
208.1±23.6 °C

[ Exact Mass ]:
368.110718

[ LogP ]:
0.31

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.646

Related Compounds

  • 3,4-Di-O-caffeoylquinic acid methyl ester
  • 3,5-Di-O-caffeoylquinic acid methyl ester
  • 4,5-Di-O-caffeoylquinic acid methyl ester
  • 3-[o-[(Trimethylsilyl)oxy]phenyl]propenoic acid methyl ester
  • 3-(o-N-Methylcarbamoyloxyphenyl)buttersaeuremethylester
  • 3-O,4-O,5-O,6-O-Tetraacetyl-2-deoxy-D-arabino-hexonic acid methyl ester
  • 5-Iodo-2-(2-pyrrolidin-1-ylethoxy)benzylamine
  • 5-Iodo-2-(2-pyrrolidin-1-ylethoxy)phenol
  • 2-(Pyrrolidin-3-yl)-1,3-benzoxazole
  • (2R)-4-Fluoro-N,1-dimethylpyrrolidine-2-carboxamide
  • 1-(5-Amino-3-chloro-2-methoxyphenyl)ethan-1-one
  • 4,5-dichloro-3-Pyridinemethanol
  • 3-propan-2-yl-7-pyrimidin-5-yl-1H-benzimidazol-2-one
  • 6-(Methoxymethyl)bicyclo[3.1.0]hexan-2-one
  • 3-(Tert-butoxy)-2-methylphenol
  • 3-Oxo-2,5,6,7-tetrahydro-3H-pyrrolo-[2,1-c][1,2,4]triazole-5-carboxylic acid
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