Caffeylmalic acid
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Caffeylmalic acid
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CAS No:
39015-77-5
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Formula:
C13H12O8
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Chemical Name:
Caffeylmalic acid
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Synonyms:
Butanedioic acid,2-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-;Butanedioic acid,[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-;2-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid;Caffeylmalic acid;Coumaroyl malic acid;Caffeoylmalic acid
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CAS No:
Computed Properties
Molecular Weight:296.23
XLogP3:0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:296.05321734
Monoisotopic Mass:296.05321734
Topological Polar Surface Area:141
Heavy Atom Count:21
Complexity:430
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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