Cas no 773876-11-2 (4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl-, methyl ester)

4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl-, methyl ester structure
773876-11-2 structure
Product Name:4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl-, methyl ester
CAS No:773876-11-2
MF:C12H11NO3
MW:217.220643281937
MDL:MFCD06204160
CID:552294
PubChem ID:22831862
Update Time:2025-08-04

4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl-, methyl ester
    • 3-METHYL-5-PHENYL-ISOXAZOLE-4-CARBOXYLIC ACID METHYL ESTER
    • methyl 3-methyl-5-phenyl-1,2-oxazole-4-carboxylate
    • methyl 3-methyl-5-phenylisoxazole-4-carboxylate
    • YFB87611
    • MFCD06204160
    • AKOS015851016
    • SCHEMBL16502243
    • DTXSID00628526
    • 3-Methyl-5-phenyl-isoxazole-4-carboxylic acid methy ester
    • CS-0361826
    • AS-5232
    • A917924
    • methyl3-methyl-5-phenylisoxazole-4-carboxylate
    • 773876-11-2
    • MDL: MFCD06204160
    • Inchi: 1S/C12H11NO3/c1-8-10(12(14)15-2)11(16-13-8)9-6-4-3-5-7-9/h3-7H,1-2H3
    • InChI Key: PJJNJDZAQVBQKT-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=CC=2)=C(C(=O)OC)C(C)=N1

Computed Properties

  • Exact Mass: 217.07400
  • Monoisotopic Mass: 217.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 251
  • 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: 2.3
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 358.4±30.0 °C at 760 mmHg
  • Flash Point: 170.6±24.6 °C
  • PSA: 52.33000
  • LogP: 2.43660
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl-, methyl ester Security Information

4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl-, methyl ester 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%

4-Isoxazolecarboxylicacid, 3-methyl-5-phenyl-, methyl ester Pricemore >>

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