Cas no 89776-74-9 (5-(propan-2-yl)-1,2-oxazole-3-carboxylic acid)

5-(propan-2-yl)-1,2-oxazole-3-carboxylic acid structure
89776-74-9 structure
Product Name:5-(propan-2-yl)-1,2-oxazole-3-carboxylic acid
CAS No:89776-74-9
MF:C7H9NO3
MW:155.151262044907
MDL:MFCD06738923
CID:61306
PubChem ID:6483812
Update Time:2024-10-26

5-(propan-2-yl)-1,2-oxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Isopropylisoxazole-3-carboxylic acid
    • 3-Isoxazolecarboxylic acid, 5-(1-methylethyl)-
    • 5-propan-2-yl-1,2-oxazole-3-carboxylic acid
    • 3-Isoxazolecarboxylicacid, 5-isopropyl- (7CI)
    • 5-Isopropyl-isoxazole-3-carboxylic acid
    • 3-Isoxazolecarboxylic acid, 5-isopropyl- (7CI)
    • 5-(1-Methylethyl)-3-isoxazolecarboxylic acid (ACI)
    • CS-0061028
    • 5-Isopropylisoxazole-3-carboxylicacid
    • F9995-2640
    • HMS1700B12
    • DTXSID50424333
    • SY081806
    • VS-0332
    • AYWGKTMGWXRLRO-UHFFFAOYSA-N
    • 3-Isoxazolecarboxylicacid, 5-(1-methylethyl)-
    • 5-Isopropyl isoxazole-3-carboxylic acid
    • ALBB-009770
    • s10283
    • AB28186
    • SCHEMBL313667
    • Z182952422
    • DB-028497
    • EN300-24316
    • A1-00174
    • 5-(propan-2-yl)-1,2-oxazole-3-carboxylic acid
    • AKOS000263470
    • 5-Isopropylisoxazole-3-carboxylic acid, 97%
    • MFCD06738923
    • 89776-74-9
    • 5-ISOPROPYL-3-ISOXAZOLECARBOXYLIC ACID
    • STK342208
    • MDL： MFCD06738923
    • Inchi： 1S/C7H9NO3/c1-4(2)6-3-5(7(9)10)8-11-6/h3-4H,1-2H3,(H,9,10)
    • InChI Key： AYWGKTMGWXRLRO-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(C(C)C)ON=1)O

Computed Properties

  • Exact Mass: 155.05800
  • Monoisotopic Mass: 155.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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: 1.4
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Melting Point: 69-73?°C (lit.)
  • PSA: 63.33000
  • LogP: 1.49620

5-(propan-2-yl)-1,2-oxazole-3-carboxylic acid Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Safety Instruction： S22; S24/25
  • HazardClass：IRRITANT

5-(propan-2-yl)-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%

5-(propan-2-yl)-1,2-oxazole-3-carboxylic acid Pricemore >>

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