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Home > Product > Heterocyclic Organic Compounds > Isochlorogenic acid

Isochlorogenic acid | CAS Number: 534-61-2

Catalog Number
ACM534612
Product Name
Isochlorogenic acid
Structure
CAS Number
534-61-2
EC Number
208-603-2
IUPAC Name
(1S,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Synonyms
Isochlorogenic acid, AIDS032055, AIDS-032055, CID73081, NSC407297, 534-61-2, Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4S,5R)-
Molecular Weight
354.309 g/mol
Exact Mass
354.09500
Molecular Formula
C16H18O9
Boiling Point
665ºC at 760mmHg
Flash Point
245.5ºC
Density
1.65g/cm3
Purity
96%
SMILES
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
InChIKey
CWVRJTMFETXNAD-HLSYRSCKSA-N
H-Bond Donor
6
H-Bond Acceptor
9
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Tel:1-201-478-8534
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Address: Suite 212, Waverly Plaza, 755 Waverly Avenue, Holtsville, NY 11742, USA