Cas no 3672-48-8 (5-(4-Methoxyphenyl)isoxazole)

5-(4-Methoxyphenyl)isoxazole structure
5-(4-Methoxyphenyl)isoxazole structure
Product Name:5-(4-Methoxyphenyl)isoxazole
CAS No:3672-48-8
MF:C10H9NO2
MW:175.183962583542
MDL:MFCD02183545
CID:296251
PubChem ID:2736756
Update Time:2025-04-19

5-(4-Methoxyphenyl)isoxazole Chemical and Physical Properties

Names and Identifiers

    • 5-(4-Methoxyphenyl)isoxazole
    • 5-(4-methoxyphenyl)-1,2-oxazole
    • Isoxazole,5-(4-methoxyphenyl)-
    • 5-(4-Methoxy-phenyl)-isoxazol
    • 5-(4-methoxy-phenyl)-isoxazole
    • 5-isoxazol
    • AC1MC69K
    • CHEBI:351745
    • CHEMBL347302
    • CTK4H7031
    • SureCN2090455
    • AMY20831
    • MFCD02183545
    • 5-(4-methoxyphenyl)isoxazole, AldrichCPR
    • SCHEMBL2090455
    • AKOS006230412
    • DTXSID70371577
    • FT-0747629
    • AB11509
    • BS-42410
    • CS-0150406
    • 3672-48-8
    • D94956
    • AK-105/40691315
    • DB-069424
    • MDL: MFCD02183545
    • Inchi: 1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-7-11-13-10/h2-7H,1H3
    • InChI Key: KKDKBSQRNCPFCM-UHFFFAOYSA-N
    • SMILES: O1C(=CC=N1)C1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 175.06300
  • Monoisotopic Mass: 175.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 35.3?2

Experimental Properties

  • PSA: 35.26000
  • LogP: 2.35020

5-(4-Methoxyphenyl)isoxazole Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi

5-(4-Methoxyphenyl)isoxazole Pricemore >>

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