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Prenyl caffeate

Prenyl caffeate structure

Prenyl caffeate 

structure
  • CAS No:

    100884-13-7

  • Formula:

    C14H16O4

  • Chemical Name:

    Prenyl caffeate

  • Synonyms:

    2-Propenoic acid,3-(3,4-dihydroxyphenyl)-,3-methyl-2-buten-1-yl ester;Cinnamic acid,3,4-dihydroxy-,3-methyl-2-butenyl ester;2-Propenoic acid,3-(3,4-dihydroxyphenyl)-,3-methyl-2-butenyl ester;Caccinetin;Prenyl caffeate;Caffeic acid 3-methyl-2-butenyl ester

Prenyl caffeate Basic Attributes

248.276

248.27

Characteristics

66.8 Ų

1.201±0.06 g/cm3(Predicted)

210-212 °C

417.5±40.0 °C(Predicted)

Computed Properties

Molecular Weight:248.27
XLogP3:3
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:329
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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