2-Thiophenecarboxylic acid, 3-hydroxy-5-nitro-, methyl ester

CAS Registry Number®

89380-77-8
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CAS Name

2-Thiophenecarboxylic acid, 3-hydroxy-5-nitro-, methyl ester

Molecular Formula

C6H5NO5S

Molecular Mass

203.17

Cite this Page

2-Thiophenecarboxylic acid, 3-hydroxy-5-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89380-77-8 (retrieved 2024-08-09) (CAS RN: 89380-77-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110-111 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H5NO5S/c1-12-6(9)5-3(8)2-4(13-5)7(10)11/h2,8H,1H3

InChIKey

InChIKey=CJHDSFKNSOHWCK-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1SC(N(=O)=O)=CC1O

Canonical SMILES

O=C(OC)C=1SC(=CC1O)N(=O)=O

Other Names for this Substance

  • 2-Thiophenecarboxylic acid, 3-hydroxy-5-nitro-, methyl ester
  • Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate
  • 3-Hydroxy-5-nitro-thiophene-2-carboxylic acid methyl ester