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Home > Encyclopedia > 1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester

1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester

1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester structure

1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester 

structure
  • CAS No:

    121496-68-2

  • Formula:

    C14H16O4

  • Chemical Name:

    1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester

  • 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

1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester Basic Attributes

248.27444

248.105

Characteristics

66.8

2.7

1.191g/cm3

402.1ºC at 760mmHg

149.2ºC

1.592

4.84E-07mmHg at 25°C

Drug Information

1,1-dimethylallyl-3',4'-dihydroxycinnamic acid ester

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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