Toddaculin

CAS Registry Number®

4335-12-0

CAS Name

Toddaculin

Molecular Formula

C16H18O4

Molecular Mass

274.31

Cite this Page

Toddaculin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4335-12-0 (retrieved 2024-11-28) (CAS RN: 4335-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3

InChIKey

InChIKey=KRQHZFHWEAJPNO-UHFFFAOYSA-N

SMILES

O(C)C1=C2C(=CC(OC)=C1CC=C(C)C)OC(=O)C=C2

Canonical SMILES

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

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-buten-1-yl)-
  • Coumarin, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-
  • 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-
  • 5,7-Dimethoxy-6-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one
  • Toddaculine

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