3-Phenyl-5(4H)-isoxazolone

CAS Registry Number®

1076-59-1

CAS Name

3-Phenyl-5(4H)-isoxazolone

Molecular Formula

C9H7NO2

Molecular Mass

161.16

Cite this Page

3-Phenyl-5(4H)-isoxazolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1076-59-1 (retrieved 2025-05-13) (CAS RN: 1076-59-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    152 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

InChIKey=IHKNLPPRTQQACK-UHFFFAOYSA-N

SMILES

O=C1CC(=NO1)C2=CC=CC=C2

Canonical SMILES

O=C1ON=C(C=2C=CC=CC2)C1

Other Names for this Substance

  • 5(4H)-Isoxazolone, 3-phenyl-
  • 2-Isoxazolin-5-one, 3-phenyl-
  • 3-Phenyl-5(4H)-isoxazolone
  • 3-Phenyl-2-isoxazolin-5-one
  • 3-Phenyl-Δ2-5-isoxazolinone

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