Cas no 150517-80-9 (5-Isobutylisoxazole-3-carboxylic acid)

5-Isobutylisoxazole-3-carboxylic acid structure
150517-80-9 structure
Product Name:5-Isobutylisoxazole-3-carboxylic acid
CAS No:150517-80-9
MF:C8H11NO3
MW:169.177842378616
MDL:MFCD04113974
CID:99863
PubChem ID:1133642
Update Time:2025-04-18

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

Names and Identifiers

    • 5-Isobutylisoxazole-3-carboxylic acid
    • 3-Isoxazolecarboxylicacid, 5-(2-methylpropyl)-
    • 5-(2-methylpropyl)-1,2-oxazole-3-carboxylic acid
    • 5-Isobutyl-isoxazole-3-carboxylic acid
    • 5-isobutylisoxazole-3-carboxylic acid(SALTDATA: FREE)
    • 5-isobutyl-3-isoxazolecarboxylic acid
    • 3-Isoxazolecarboxylicacid,5-(2-methylpropyl)-(9CI)
    • 150517-80-9
    • 3-Isoxazolecarboxylic acid, 5-(2-methylpropyl)-
    • SCHEMBL1128727
    • DTXSID40360695
    • LS-09342
    • BB 0253924
    • MFCD04113974
    • 5-isobutylisoxazole-3-carboxylicacid
    • EN300-261374
    • CHMDISUDXFJSLN-UHFFFAOYSA-N
    • AKOS003673446
    • 5-isobutyl-isoxazole-3-carboxylic acid, AldrichCPR
    • 5-(2-METHYLPROPYL)-3-ISOXAZOLECARBOXYLIC ACID
    • DB-090943
    • STL145044
    • G74105
    • ALBB-027250
    • MDL: MFCD04113974
    • Inchi: 1S/C8H11NO3/c1-5(2)3-6-4-7(8(10)11)9-12-6/h4-5H,3H2,1-2H3,(H,10,11)
    • InChI Key: CHMDISUDXFJSLN-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C(=O)O)=N1)CC(C)C

Computed Properties

  • Exact Mass: 169.07400
  • Monoisotopic Mass: 169.073893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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
  • Surface Charge: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.33000
  • LogP: 1.57130

5-Isobutylisoxazole-3-carboxylic acid Security Information

5-Isobutylisoxazole-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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