5,6-Dimethylxanthenone-4-acetic acid

CAS Registry Number®

117570-53-3

CAS Name

5,6-Dimethylxanthenone-4-acetic acid

Molecular Formula

C17H14O4

Molecular Mass

282.29

Cite this Page

5,6-Dimethylxanthenone-4-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117570-53-3 (retrieved 2024-11-23) (CAS RN: 117570-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    259-261 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)

InChIKey

InChIKey=XGOYIMQSIKSOBS-UHFFFAOYSA-N

SMILES

C(C(O)=O)C1=C2C(C(=O)C=3C(O2)=C(C)C(C)=CC3)=CC=C1

Canonical SMILES

O=C(O)CC=1C=CC=C2C(=O)C3=CC=C(C(=C3OC21)C)C

Other Names for this Substance

  • 9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-
  • 5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acid
  • 5,6-Dimethylxanthenone-4-acetic acid
  • NSC 640488
  • DMXAA

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