Cas no 668971-17-3 (3-Isoxazolecarboxylic acid, 5-(2-methoxyphenyl)-, methyl ester)

3-Isoxazolecarboxylic acid, 5-(2-methoxyphenyl)-, methyl ester structure
668971-17-3 structure
Product Name:3-Isoxazolecarboxylic acid, 5-(2-methoxyphenyl)-, methyl ester
CAS No:668971-17-3
MF:C12H11NO4
MW:233.220043420792
CID:1713214
PubChem ID:674560
Update Time:2025-04-21

3-Isoxazolecarboxylic acid, 5-(2-methoxyphenyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolecarboxylic acid, 5-(2-methoxyphenyl)-, methyl ester
    • SY267846
    • 5-(2-Methoxy-phenyl)-isoxazole-3-carboxylic acid methyl ester
    • CCG-314844
    • MFCD03761322
    • methyl 5-(2-methoxyphenyl)-1,2-oxazole-3-carboxylate
    • methyl 5-(2-methoxyphenyl)isoxazole-3-carboxylate
    • 668971-17-3
    • 5-(2-Methoxyphenyl)-isoxazole-3-carboxylic acid methyl ester
    • starbld0028185
    • STL214916
    • 5-(2-Methoxy-phenyl)-isoxazole-3-carboxylicacidmethylester
    • AKOS003355478
    • Inchi： 1S/C12H11NO4/c1-15-10-6-4-3-5-8(10)11-7-9(13-17-11)12(14)16-2/h3-7H,1-2H3
    • InChI Key： CQYQVYUEFHKARR-UHFFFAOYSA-N
    • SMILES： O1C(=CC(C(=O)OC)=N1)C1C=CC=CC=1OC

Computed Properties

  • Exact Mass: 233.06883
  • Monoisotopic Mass: 233.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 271
  • 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: 2.2
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 365.8±32.0 °C at 760 mmHg
  • Flash Point: 175.0±25.1 °C
  • PSA: 61.56
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3-Isoxazolecarboxylic acid, 5-(2-methoxyphenyl)-, methyl ester Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
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eNovation Chemicals LLC
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Methyl 5-(2-Methoxyphenyl)isoxazole-3-carboxylate
 668971-17-3 95%
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