Cas no 133336-95-5 (3-(4-Tritriacontylphenoxy)propanoic acid)

3-(4-Tritriacontylphenoxy)propanoic acid structure
133336-95-5 structure
Product Name:3-(4-Tritriacontylphenoxy)propanoic acid
CAS No:133336-95-5
MF:C42H76O3
MW:629.051054000854
CID:228384
Update Time:2024-03-01

3-(4-Tritriacontylphenoxy)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,3-(4-tritriacontylphenoxy)-
    • Parvifolinoicacid
    • Parvifolinic acid
    • 3-(4-Tritriacontylphenoxy)propanoic acid
    • Inchi: 1S/C42H76O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-40-34-36-41(37-35-40)45-39-38-42(43)44/h34-37H,2-33,38-39H2,1H3,(H,43,44)
    • InChI Key: BQQNNDAUPYMKCJ-UHFFFAOYSA-N
    • SMILES: O(CCC(=O)O)C1C=CC(=CC=1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 36
  • Complexity: 583
  • Topological Polar Surface Area: 46.5
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