Cas no 193756-98-8 (2-[(2H-1,3-Benzodioxol-5-yl)oxy]-6-(4-methoxyphenoxy)benzoic acid)

2-[(2H-1,3-Benzodioxol-5-yl)oxy]-6-(4-methoxyphenoxy)benzoic acid structure
193756-98-8 structure
Product Name:2-[(2H-1,3-Benzodioxol-5-yl)oxy]-6-(4-methoxyphenoxy)benzoic acid
CAS No:193756-98-8
MF:C21H16O7
MW:380.347546577454
CID:2788221
Update Time:2023-08-07

2-[(2H-1,3-Benzodioxol-5-yl)oxy]-6-(4-methoxyphenoxy)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • L016735
    • 2-(4-methoxyphenoxy)-6-[3,4-(methylenedioxy)phenoxy]benzoic acid
    • 2-[(2H-1,3-Benzodioxol-5-yl)oxy]-6-(4-methoxyphenoxy)benzoic acid
    • Inchi: 1S/C21H16O7/c1-24-13-5-7-14(8-6-13)27-17-3-2-4-18(20(17)21(22)23)28-15-9-10-16-19(11-15)26-12-25-16/h2-11H,12H2,1H3,(H,22,23)
    • InChI Key: NOMGSAGTBNODAA-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=C(C=1C(=O)O)OC1C=CC(=CC=1)OC)C1C=CC2=C(C=1)OCO2

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 519
  • XLogP3: 4.3
  • Topological Polar Surface Area: 83.4
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