Emodin

CAS Registry Number®

518-82-1
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CAS Name

Emodin

Molecular Formula

C15H10O5

Molecular Mass

270.24

Cite this Page

Emodin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=518-82-1 (retrieved 2024-07-14) (CAS RN: 518-82-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    60-80 °C
  • Melting Point (2)

    256-257 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

InChIKey

InChIKey=RHMXXJGYXNZAPX-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)C=3C1=C(O)C=C(O)C3)=CC(C)=CC2O

Canonical SMILES

O=C1C=2C=C(O)C=C(O)C2C(=O)C3=C(O)C=C(C=C13)C

Other Names for this Substance

  • 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-
  • Anthraquinone, 1,3,8-trihydroxy-6-methyl-
  • 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione
  • Emodin
  • 3-Methyl-1,6,8-trihydroxyanthraquinone

Deleted or Replaced CAS Registry Numbers

2375546-29-3