2,5-Dimethyl-γ-oxo-3-thiophenebutanoic acid

CAS Registry Number®

6007-77-8
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CAS Name

2,5-Dimethyl-γ-oxo-3-thiophenebutanoic acid

Molecular Formula

C10H12O3S

Molecular Mass

212.27

Cite this Page

2,5-Dimethyl-γ-oxo-3-thiophenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6007-77-8 (retrieved 2024-04-29) (CAS RN: 6007-77-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    111-112 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12O3S/c1-6-5-8(7(2)14-6)9(11)3-4-10(12)13/h5H,3-4H2,1-2H3,(H,12,13)

InChIKey

InChIKey=KGHDSIBUTCYURM-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)(=O)C1=C(C)SC(C)=C1

Canonical SMILES

O=C(O)CCC(=O)C=1C=C(SC1C)C

Other Names for this Substance

  • 3-Thiophenebutanoic acid, 2,5-dimethyl-γ-oxo-
  • 3-Thiophenebutyric acid, 2,5-dimethyl-γ-oxo-
  • 2,5-Dimethyl-γ-oxo-3-thiophenebutanoic acid
  • NSC 170825

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