1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester
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1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester
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CAS No:
121496-68-2
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Formula:
C14H16O4
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Chemical Name:
1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester
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Synonyms:
1,1-dimethylallyl-3",4"-dihydroxycinnamic acid ester;DDCAE;2-methylbut-3-en-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;1,1-Dimethylallyl caffeate;SCHEMBL19136731;3,4-Dihydroxybenzeneacrylic acid 1,1-dimethylallyl ester;2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 1,1-dimethyl-2-propenyl ester
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CAS No:
Computed Properties
Molecular Weight:248.27
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:248.10485899
Monoisotopic Mass:248.10485899
Topological Polar Surface Area:66.8
Heavy Atom Count:18
Complexity:333
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester
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