Cas no 89776-75-0 (5-propyl-1,2-oxazole-3-carboxylic acid)

5-propyl-1,2-oxazole-3-carboxylic acid structure
89776-75-0 structure
Product Name:5-propyl-1,2-oxazole-3-carboxylic acid
CAS No:89776-75-0
MF:C7H9NO3
MW:155.151262044907
MDL:MFCD05668697
CID:720728
PubChem ID:1132871
Update Time:2024-10-26

5-propyl-1,2-oxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Propyl-3-isoxazolecarboxylic acid
    • 3-Isoxazolecarboxylicacid, 5-propyl-
    • 5-propyl-1,2-oxazole-3-carboxylic acid
    • 5-Propyl-Isoxazole-3-Carboxylic Acid
    • 5-propylisoxazole-3-carboxylic acid
    • 3-Isoxazolecarboxylicacid,5-propyl
    • 5-propylisoxazole-3-carboxylic acid(SALTDATA: FREE)
    • 5-Propyl-3-isoxazolecarboxylic acid (ACI)
    • EN300-92782
    • Z951761538
    • DTXSID20360633
    • G84975
    • MFCD05668697
    • SCHEMBL3771944
    • 5-Propylisoxazole-3-carboxylic acid, AldrichCPR
    • 89776-75-0
    • AKOS000303042
    • BBL039456
    • ALBB-009780
    • 3-ISOXAZOLECARBOXYLIC ACID, 5-PROPYL-
    • 5-Propyl-3-isoxazolecarboxylicacid
    • F2184-0207
    • LS-03264
    • STK341657
    • ZXWHSBZHRVKCGZ-UHFFFAOYSA-N
    • AB22438
    • MDL: MFCD05668697
    • Inchi: 1S/C7H9NO3/c1-2-3-5-4-6(7(9)10)8-11-5/h4H,2-3H2,1H3,(H,9,10)
    • InChI Key: ZXWHSBZHRVKCGZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(CCC)ON=1)O

Computed Properties

  • Exact Mass: 155.05800
  • Monoisotopic Mass: 155.058243g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 149
  • 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: 1.5
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.33000
  • LogP: 1.32530

5-propyl-1,2-oxazole-3-carboxylic acid Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • HazardClass:IRRITANT

5-propyl-1,2-oxazole-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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5-propyl-1,2-oxazole-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol
1.2 Reagents: Hydroxyamine hydrochloride Solvents: Ethanol ;  reflux
1.3 Reagents: Sodium hydroxide Solvents: Water
Reference
Synthesis and antifungal activity of 2-heterocyclylbenzimidazole derivatives
Chen, Lan; Wei, Ningning; Gao, Jie; Zhou, Wenming, Nongyaoxue Xuebao, 2011, 13(5), 448-452

5-propyl-1,2-oxazole-3-carboxylic acid Preparation Products

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