3-Isoxazolecarboxylic acid, 5-ethyl-, ethyl ester

CAS Registry Number®

90607-22-0
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CAS Name

3-Isoxazolecarboxylic acid, 5-ethyl-, ethyl ester

Molecular Formula

C8H11NO3

Molecular Mass

169.18

Cite this Page

3-Isoxazolecarboxylic acid, 5-ethyl-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90607-22-0 (retrieved 2024-07-29) (CAS RN: 90607-22-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    93-95 °C @ Press: 5 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H11NO3/c1-3-6-5-7(9-12-6)8(10)11-4-2/h5H,3-4H2,1-2H3

InChIKey

InChIKey=UBWKBDZVYQXLBF-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C=C(CC)ON1

Canonical SMILES

O=C(OCC)C1=NOC(=C1)CC

Other Names for this Substance

  • 3-Isoxazolecarboxylic acid, 5-ethyl-, ethyl ester
  • Ethyl 5-ethylisoxazole-3-carboxylate