(+)-Catechin 3-gallate
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(+)-Catechin 3-gallate
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CAS No:
25615-05-8
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Formula:
C22H18O10
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Chemical Name:
(+)-Catechin 3-gallate
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Synonyms:
Benzoic acid,3,4,5-trihydroxy-,(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester;Catechol,3-gallate,(+)-;Benzoic acid,3,4,5-trihydroxy-,2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester,(2R-trans)-;Gallic acid,3-ester with catechol,(+)-;(+)-Catechin 3-gallate;(+)-Catechin 3-O-gallate;(+)-Catechin gallate;Catechin-3-O-gallate;Catechin-3-O-galloyl
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CAS No:
Computed Properties
Molecular Weight:442.4
XLogP3:1.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:442.08999677
Monoisotopic Mass:442.08999677
Topological Polar Surface Area:177
Heavy Atom Count:32
Complexity:649
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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