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3-O-Feruloylquinic Acid

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3-O-Feruloylquinic acid / CAS : 1899-29-2

Appearance solid UN -
HS - DG Class -
Synonyms 5-Feruloylquinic acid; 3-Feruloylquinic acid; 5-Feruoylquinic acid; 5-O-Feruloyl Quinic acid; (1S,3S,4S,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-Hydroxy-3-Methoxyphenyl)prop-2-Enoyl]Oxycyclohexane-1-Carboxylic acid
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Properties

Summary

Formula
C17H20O9
Molecular Mass
368.33500
Exact Mass
368.11100
PSA
153.75000
Logp
-0.34290
IUPAC
(1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O[CH]2C[C](C[CH]([CH]2O)O)(C(=O)O)O)O

Attribute classification

Matter Classification
organic
Category
Auxiliary > Other Auxiliary Agent

Chemical and Physical Properties

Melting Point
196-197 °C
Density
1.53±0.1 g/cm3
Boiling Point
629.4±55.0 °C
Flash Point
228.6ºC
Appearance
solid

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