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Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, monopotassium salt, [1S-(1alpha,3beta,4alpha,5alpha)]-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1) (7509-32-2)

Identification
Name:Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, monopotassium salt, [1S-(1alpha,3beta,4alpha,5alpha)]-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1)
Synonyms:Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, monopotassium salt, [1S-(1alpha,3beta,4alpha,5alpha)]-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1);CAFFEINE CHLOROGENIC ACID COMPLEX
CAS:7509-32-2
EINECS: 231-366-1
Molecular Formula: C16H17O9.C8H10N4O2.K
Molecular Weight: 586.592
InChI: InChI=1/C16H18O9.C8H10N4O2/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23);4H,1-3H3/b4-2+;
Molecular Structure: (C16H17O9.C8H10N4O2.K) Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, mon...
Properties
Flash Point: 245.5°C
Boiling Point: 665°C at 760 mmHg
Density:g/cm3
Flash Point: 245.5°C
Safety Data
 

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