Cas no 1375064-52-0 (4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic Acid)

4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic Acid structure
1375064-52-0 structure
Product Name:4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic Acid
CAS No:1375064-52-0
MF:C12H9NO5
MW:247.203563451767
MDL:MFCD22192331
CID:1056715
Update Time:2025-04-20

4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic Acid
    • 4-[3-(Methoxycarbonyl)-1,2-oxazol-5-yl]benzoic acid
    • 6065AJ
    • TRA0000332
    • SY015170
    • 4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoicAcid
    • 4-(3-methoxycarbonyl-1,2-oxazol-5-yl)benzoic acid
    • 3-Isoxazolecarboxylic acid, 5-(4-carboxyphenyl)-, 3-methyl ester
    • MDL: MFCD22192331
    • Inchi: 1S/C12H9NO5/c1-17-12(16)9-6-10(18-13-9)7-2-4-8(5-3-7)11(14)15/h2-6H,1H3,(H,14,15)
    • InChI Key: YGJBDODYBMPATP-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C(=O)OC)=N1)C1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 247.04800
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 324
  • Topological Polar Surface Area: 89.6

Experimental Properties

  • PSA: 89.63000
  • LogP: 1.82640

4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic Acid Pricemore >>

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abcr
AB451714-250 mg
4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic acid; .
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