Caftaric acid
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Caftaric acid
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CAS No:
67879-58-7
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Formula:
C13H12O9
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Chemical Name:
Caftaric acid
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Synonyms:
Butanedioic acid,2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-hydroxy-,(2R,3R)-;Butanedioic acid,2-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxy-,[R-[R*,R*-(E)]]-;Butanedioic acid,2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxy-,(2R,3R)-;(2R,3R)-2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-hydroxybutanedioic acid;Caftaric acid;trans-Caftaric acid;72880-50-3
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CAS No:
Characteristics
162
1.14
White Powder
1.7±0.1 g/cm3
123-125 °C
618.2°C at 760 mmHg
236.3±25.0 °C
1.694
2-8°C
Computed Properties
Molecular Weight:312.23
XLogP3:0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:312.04813196
Monoisotopic Mass:312.04813196
Topological Polar Surface Area:162
Heavy Atom Count:22
Complexity:458
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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