trans-Caffeic acid

CAS Registry Number®

501-16-6
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CAS Name

trans-Caffeic acid

Molecular Formula

C9H8O4

Molecular Mass

180.16

Cite this Page

trans-Caffeic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=501-16-6 (retrieved 2024-04-18) (CAS RN: 501-16-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-198 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

InChIKey

InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-N

SMILES

C(=C/C(O)=O)\C1=CC(O)=C(O)C=C1

Canonical SMILES

O=C(O)C=CC1=CC=C(O)C(O)=C1

Other Names for this Substance

  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-
  • Cinnamic acid, 3,4-dihydroxy-, (E)-
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-
  • Cinnamic acid, 3,4-dihydroxy-, trans-
  • (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid

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