2-Thiophenecarboxylic acid, 5-acetyl-, methyl ester

CAS Registry Number®

4101-81-9

CAS Name

2-Thiophenecarboxylic acid, 5-acetyl-, methyl ester

Molecular Formula

C8H8O3S

Molecular Mass

184.21

Cite this Page

2-Thiophenecarboxylic acid, 5-acetyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4101-81-9 (retrieved 2024-12-02) (CAS RN: 4101-81-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    127-128 °C @ Press: 1 Torr

  • Melting Point (2)

    137-138 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H8O3S/c1-5(9)6-3-4-7(12-6)8(10)11-2/h3-4H,1-2H3

InChIKey

InChIKey=ZZCGDQGSNGPPBQ-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1SC(C(C)=O)=CC1

Canonical SMILES

O=C(OC)C=1SC(=CC1)C(=O)C

Other Names for this Substance

  • 2-Thiophenecarboxylic acid, 5-acetyl-, methyl ester
  • Methyl 5-acetyl-2-thiophenecarboxylate
  • 5-Acetylthiophene-2-carboxylic acid methyl ester

CAS INSIGHTSTM
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