Xanthoxyletin

CAS Registry Number®

84-99-1
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CAS Name

Xanthoxyletin

Molecular Formula

C15H14O4

Molecular Mass

258.27

Cite this Page

Xanthoxyletin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=84-99-1 (retrieved 2024-04-28) (CAS RN: 84-99-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3

InChIKey

InChIKey=JSJIIHRNDMLJGK-UHFFFAOYSA-N

SMILES

O(C)C1=C2C(=CC3=C1C=CC(=O)O3)OC(C)(C)C=C2

Canonical SMILES

O=C1OC2=CC=3OC(C=CC3C(OC)=C2C=C1)(C)C

Other Names for this Substance

  • 2H,8H-Benzo[1,2-b:5,4-b′]dipyran-2-one, 5-methoxy-8,8-dimethyl-
  • Xanthoxyletin
  • 5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b′]dipyran-2-one
  • Xanthoxylin N
  • 2-Propenoic acid, 3-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-, δ-lactone

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