Demethylsuberosin

CAS Registry Number®

21422-04-8
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CAS Name

Demethylsuberosin

Molecular Formula

C14H14O3

Molecular Mass

230.26

Cite this Page

Demethylsuberosin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=21422-04-8 (retrieved 2024-05-04) (CAS RN: 21422-04-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133.5-134.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3

InChIKey

InChIKey=FIDUIAPDSKSUGO-UHFFFAOYSA-N

SMILES

C(C=C(C)C)C=1C=C2C(=CC1O)OC(=O)C=C2

Canonical SMILES

O=C1OC=2C=C(O)C(=CC2C=C1)CC=C(C)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 7-hydroxy-6-(3-methyl-2-buten-1-yl)-
  • Coumarin, 7-hydroxy-6-(3-methyl-2-butenyl)-
  • 2H-1-Benzopyran-2-one, 7-hydroxy-6-(3-methyl-2-butenyl)-
  • 7-Hydroxy-6-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one
  • 7-Demethylsuberosin

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