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Ethyl caffeate

Ethyl caffeate structure

Ethyl caffeate 

structure
  • CAS No:

    102-37-4

  • Formula:

    C11H12O4

  • Chemical Name:

    Ethyl caffeate

  • Synonyms:

    2-Propenoic acid,3-(3,4-dihydroxyphenyl)-,ethyl ester;Cinnamic acid,3,4-dihydroxy-,ethyl ester;Ethyl caffeate;Ethyl 3,4-dihydroxycinnamate;Caffeic acid ethyl ester;Ethyl caffeoate;NSC 619661

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa. Ethyl caffeate suppresses NF-κB activation and its downstream inflammatory mediators, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and prostaglandin E2 (PGE2) in vitro or in mouse skin[1].

Ethyl caffeate Basic Attributes

208.21058

208.21

2918290000

Characteristics

66.8

2.6

1.3±0.1 g/cm3

149.5 °C

377°C at 760 mmHg

148.4±18.6 °C

1.612

3.22E-06mmHg at 25°C

Computed Properties

Molecular Weight:208.21
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:66.8
Heavy Atom Count:15
Complexity:237
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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