3,5-Dibromo-4-hydroxy-α-oxobenzenepropanoic acid

CAS Registry Number®

13990-07-3

CAS Name

3,5-Dibromo-4-hydroxy-α-oxobenzenepropanoic acid

Molecular Formula

C9H6Br2O4

Molecular Mass

337.95

Cite this Page

3,5-Dibromo-4-hydroxy-α-oxobenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13990-07-3 (retrieved 2024-12-12) (CAS RN: 13990-07-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-193 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6Br2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)

InChIKey

InChIKey=NJXFZTOQSMPMRY-UHFFFAOYSA-N

SMILES

C(C(C(O)=O)=O)C1=CC(Br)=C(O)C(Br)=C1

Canonical SMILES

O=C(O)C(=O)CC1=CC(Br)=C(O)C(Br)=C1

Other Names for this Substance

  • Benzenepropanoic acid, 3,5-dibromo-4-hydroxy-α-oxo-
  • Pyruvic acid, (3,5-dibromo-4-hydroxyphenyl)-
  • 3,5-Dibromo-4-hydroxy-α-oxobenzenepropanoic acid
  • 4-Hydroxy-3,5-dibromophenylpyruvic acid
  • 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropionic acid

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CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background