Cas no 108805-39-6 (5-Methoxy-benzodisoxazole-3-carboxylic Acid)

5-Methoxy-benzodisoxazole-3-carboxylic Acid is a heterocyclic carboxylic acid derivative featuring a benzodisoxazole core substituted with a methoxy group at the 5-position. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate in the synthesis of bioactive molecules. The presence of both the carboxylic acid and methoxy functionalities enhances its reactivity, allowing for further derivatization through esterification, amidation, or other coupling reactions. Its rigid benzodisoxazole scaffold may contribute to improved stability and binding affinity in target applications. The compound is typically handled under controlled conditions due to its sensitivity to light and moisture.
5-Methoxy-benzodisoxazole-3-carboxylic Acid structure
108805-39-6 structure
Product Name:5-Methoxy-benzodisoxazole-3-carboxylic Acid
CAS No:108805-39-6
MF:C9H7NO4
MW:193.156182527542
MDL:MFCD11858437
CID:2118802
PubChem ID:15579067
Update Time:2025-06-07

5-Methoxy-benzodisoxazole-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methoxy-benzo[d]isoxazole-3-carboxylic acid
    • 5-Methoxy-1,2-benzoxazole-3-carboxylic acid
    • 5-Methoxybenzo[d]isoxazole-3-carboxylic acid
    • 108805-39-6
    • 5-Methoxybenzo[d]isoxazole-3-carboxylicacid
    • SB30602
    • MFCD11858437
    • CS-0340288
    • DB-059792
    • 5-Methoxy-benzodisoxazole-3-carboxylic Acid
    • MDL: MFCD11858437
    • Inchi: 1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(9(11)12)10-14-7/h2-4H,1H3,(H,11,12)
    • InChI Key: NMXBODSGOIQLBE-UHFFFAOYSA-N
    • SMILES: O1C2C=CC(=CC=2C(C(=O)O)=N1)OC

Computed Properties

  • Exact Mass: 193.03750770g/mol
  • Monoisotopic Mass: 193.03750770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 233
  • 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: 1.5
  • Topological Polar Surface Area: 72.6?2

Experimental Properties

  • Boiling Point: 410.8±25.0°C at 760 mmHg

5-Methoxy-benzodisoxazole-3-carboxylic Acid Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M333250-10mg
5-Methoxy-benzodisoxazole-3-carboxylic Acid
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TRC
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