Cas no 668970-81-8 (3-Isoxazolecarboxylic acid, 5-(2-methylphenyl)-, methyl ester)

3-Isoxazolecarboxylic acid, 5-(2-methylphenyl)-, methyl ester structure
668970-81-8 structure
Product Name:3-Isoxazolecarboxylic acid, 5-(2-methylphenyl)-, methyl ester
CAS No:668970-81-8
MF:C12H11NO3
MW:217.220643281937
MDL:MFCD28157833
CID:1713207
PubChem ID:69906104
Update Time:2025-04-21

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

Names and Identifiers

    • 3-Isoxazolecarboxylic acid, 5-(2-methylphenyl)-, methyl ester
    • Methyl 5-(o-Tolyl)isoxazole-3-carboxylate
    • MFCD28157833
    • starbld0022270
    • 668970-81-8
    • SCHEMBL6818530
    • SY268034
    • METHYL 5-(2-METHYLPHENYL)-1,2-OXAZOLE-3-CARBOXYLATE
    • 5-o-Tolyl-isoxazole-3-carboxylic acid methyl ester
    • MDL： MFCD28157833
    • Inchi： 1S/C12H11NO3/c1-8-5-3-4-6-9(8)11-7-10(13-16-11)12(14)15-2/h3-7H,1-2H3
    • InChI Key： NJJGSQUNSSLUFS-UHFFFAOYSA-N
    • SMILES： O1C(=CC(C(=O)OC)=N1)C1C=CC=CC=1C

Computed Properties

  • Exact Mass: 217.07393
  • Monoisotopic Mass: 217.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 257
  • 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: 2.6
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 360.1±30.0 °C at 760 mmHg
  • Flash Point: 171.6±24.6 °C
  • PSA: 52.33
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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

3-Isoxazolecarboxylic acid, 5-(2-methylphenyl)-, methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y1197490-1g
Methyl 5-(o-Tolyl)isoxazole-3-carboxylate
 668970-81-8 95%
1g
 $980 2024-07-19
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1594985-1g
Methyl 5-(o-tolyl)isoxazole-3-carboxylate
 668970-81-8 98%
1g
 ￥3410.00 2024-05-04
eNovation Chemicals LLC
Y1197490-1g
Methyl 5-(o-Tolyl)isoxazole-3-carboxylate
 668970-81-8 95%
1g
 $980 2025-02-18
eNovation Chemicals LLC
Y1197490-1g
Methyl 5-(o-Tolyl)isoxazole-3-carboxylate
 668970-81-8 95%
1g
 $980 2025-02-27

3-Isoxazolecarboxylic acid, 5-(2-methylphenyl)-, methyl ester Related Literature

668970-81-8 (3-Isoxazolecarboxylic acid, 5-(2-methylphenyl)-, methyl ester) Related Products

Recommended suppliers
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm