2,6,7-Trihydroxy-3-methyl-1,4-naphthalenedione

CAS Registry Number®

1333407-58-1
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CAS Name

2,6,7-Trihydroxy-3-methyl-1,4-naphthalenedione

Molecular Formula

C11H8O5

Molecular Mass

220.18

Cite this Page

2,6,7-Trihydroxy-3-methyl-1,4-naphthalenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1333407-58-1 (retrieved 2024-09-19) (CAS RN: 1333407-58-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-193 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H8O5/c1-4-9(14)5-2-7(12)8(13)3-6(5)11(16)10(4)15/h2-3,12-13,15H,1H3

InChIKey

InChIKey=NFPCJUXQJHJTIF-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)C(O)=C1C)=CC(O)=C(O)C2

Canonical SMILES

O=C1C(O)=C(C(=O)C2=CC(O)=C(O)C=C12)C

Other Names for this Substance

  • 1,4-Naphthalenedione, 2,6,7-trihydroxy-3-methyl-
  • 2,6,7-Trihydroxy-3-methyl-1,4-naphthalenedione
  • 2,6,7-Trihydroxy-3-methylnaphthalene-1,4-dione