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E-Caffeic acid pentyl ester

E-Caffeic acid pentyl ester structure

E-Caffeic acid pentyl ester 

structure
  • CAS No:

    136944-11-1

  • Formula:

    C14H18O4

  • Chemical Name:

    E-Caffeic acid pentyl ester

  • Synonyms:

    CHEMBL2088769;Pentyl 3-(3,4-Dihydroxyphenyl)Acrylate;E-Caffeic acid pentyl ester;pentyl caffeate;BDBM50276908;3,4-Dihydroxybenzeneacrylic acid pentyl ester;Pentyl (E)-3-(3,4-dihydroxyphenyl)acrylate;(E)-3-(3,4-Dihydroxyphenyl)propenoic acid pentyl ester

E-Caffeic acid pentyl ester Basic Attributes

250.294

250.121

Characteristics

66.8

4.1

Computed Properties

Molecular Weight:250.29
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:250.12050905
Monoisotopic Mass:250.12050905
Topological Polar Surface Area:66.8
Heavy Atom Count:18
Complexity:275
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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