Cas no 145441-17-4 (5-Acetylisoxazole-3-carboxylic acid)

5-Acetylisoxazole-3-carboxylic acid structure
145441-17-4 structure
Product Name:5-Acetylisoxazole-3-carboxylic acid
CAS No:145441-17-4
MF:C6H5NO4
MW:155.108201742172
MDL:MFCD11035732
CID:137348
PubChem ID:17867521
Update Time:2025-09-28

5-Acetylisoxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Acetylisoxazole-3-carboxylic acid
    • 3-Isoxazolecarboxylic acid, 5-acetyl-
    • 5-acetyl-1,2-oxazole-3-carboxylic acid
    • 3-Isoxazolecarboxylicacid,5-acetyl
    • 5-Acetyl-3-carboxyisoxazole
    • 5-acetyl-3-isoxazolecarboxylic acid
    • 5-Acetyl-isoxazol-3-carbonsaeure
    • S11493
    • AMY31216
    • AKOS015911171
    • BPFNHNJYQWTXHY-UHFFFAOYSA-N
    • MFCD11035732
    • PS-8870
    • 3-Isoxazolecarboxylicacid,5-acetyl-
    • Z1255443271
    • 5-acetylisoxazole-3-carboxylicacid
    • CS-0208048
    • DTXSID90591396
    • EN300-263400
    • VFA44117
    • SCHEMBL1809442
    • 3-Isoxazolecarboxylic acid, 5-acetyl- (9CI)
    • 145441-17-4
    • MDL: MFCD11035732
    • Inchi: 1S/C6H5NO4/c1-3(8)5-2-4(6(9)10)7-11-5/h2H,1H3,(H,9,10)
    • InChI Key: BPFNHNJYQWTXHY-UHFFFAOYSA-N
    • SMILES: O1C(C(C)=O)=CC(C(=O)O)=N1

Computed Properties

  • Exact Mass: 155.02200
  • Monoisotopic Mass: 155.02185764g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 191
  • 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: 0.2
  • Topological Polar Surface Area: 80.4?2

Experimental Properties

  • Density: 1.416
  • Boiling Point: 402.6°Cat760mmHg
  • Flash Point: 197.3°C
  • Refractive Index: 1.526
  • PSA: 80.40000
  • LogP: 0.57540

5-Acetylisoxazole-3-carboxylic acid Security Information

  • Hazardous Material Identification: Xi

5-Acetylisoxazole-3-carboxylic acid Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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