4,5-Dicaffeoylquinic acid
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4,5-Dicaffeoylquinic acid
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CAS No:
57378-72-0
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Formula:
C25H24O12
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Chemical Name:
4,5-Dicaffeoylquinic acid
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Synonyms:
Cyclohexanecarboxylic acid,3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-,(1R,3R,4S,5R)-;Cyclohexanecarboxylic acid,3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-,[1R-(1α,3α,4α,5β)]-;Cyclohexanecarboxylic acid,3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-,(1R,3R,4S,5R)-;(1R,3R,4S,5R)-3,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxycyclohexanecarboxylic acid;4,5-Dicaffeoylquinic acid;Isochlorogenic acid c;32451-88-0
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CAS No:
Computed Properties
Molecular Weight:516.4
XLogP3:1.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:516.12677620
Monoisotopic Mass:516.12677620
Topological Polar Surface Area:211
Heavy Atom Count:37
Complexity:887
Defined Atom Stereocenter Count:4
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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