Cas no 64020-02-6 (3-[2,2-Bis(2-carboxyethoxymethyl)butoxy]propanoic acid)

3-[2,2-Bis(2-carboxyethoxymethyl)butoxy]propanoic acid structure
64020-02-6 structure
Product Name:3-[2,2-Bis(2-carboxyethoxymethyl)butoxy]propanoic acid
CAS No:64020-02-6
MF:C15H26O9
MW:350.361546039581
CID:2675314
Update Time:2023-08-06

3-[2,2-Bis(2-carboxyethoxymethyl)butoxy]propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,3'-[[2-[(2-Carboxyethoxy)methyl]-2-ethyl-1,3-propanediyl]bis(oxy)]bis(propanoic acid)
    • 6-(4-Carboxy-2-oxabutan-1-yl)-6-ethyl-4,8-dioxaundecanedioic acid
    • 3-[2,2-Bis(2-carboxyethoxymethyl)butoxy]propanoic acid
    • Inchi: 1S/C15H26O9/c1-2-15(9-22-6-3-12(16)17,10-23-7-4-13(18)19)11-24-8-5-14(20)21/h2-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)
    • InChI Key: SQMWRYZUTXKWCE-UHFFFAOYSA-N
    • SMILES: O(CCC(=O)O)CC(COCCC(=O)O)(COCCC(=O)O)CC

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 16
  • Complexity: 339
  • Topological Polar Surface Area: 140
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