4-Methoxydalbergione

CAS Registry Number®

28396-75-0

CAS Name

4-Methoxydalbergione

Molecular Formula

C16H14O3

Molecular Mass

254.28

Cite this Page

4-Methoxydalbergione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28396-75-0 (retrieved 2024-11-22) (CAS RN: 28396-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    109.5-111 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H14O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12H,1H2,2H3

InChIKey

InChIKey=RGSUZUQISVAJJF-UHFFFAOYSA-N

SMILES

C(C=C)(C=1C(=O)C=C(OC)C(=O)C1)C2=CC=CC=C2

Canonical SMILES

O=C1C=C(C(=O)C=C1OC)C(C=C)C=2C=CC=CC2

Other Names for this Substance

  • 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-5-(1-phenyl-2-propen-1-yl)-
  • p-Benzoquinone, 2-methoxy-5-(1-phenylallyl)-
  • 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-5-(1-phenyl-2-propenyl)-
  • 2-Methoxy-5-(1-phenyl-2-propen-1-yl)-2,5-cyclohexadiene-1,4-dione
  • 4-Methoxydalbergione

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Deleted or Replaced CAS Registry Numbers

4640-26-0