Cas no 115271-29-9 (Butanoic acid, 3-oxo-, ethyl ester, polymer with 2,2-dimethyl-1,3-propanediol and 2-propanol aluminum salt)

Butanoic acid, 3-oxo-, ethyl ester, polymer with 2,2-dimethyl-1,3-propanediol and 2-propanol aluminum salt structure
115271-29-9 structure
Product Name:Butanoic acid, 3-oxo-, ethyl ester, polymer with 2,2-dimethyl-1,3-propanediol and 2-propanol aluminum salt
CAS No:115271-29-9
MF:C20H43AlO8
MW:438.532166719437
CID:230797
PubChem ID:44147382
Update Time:2025-04-19

Butanoic acid, 3-oxo-, ethyl ester, polymer with 2,2-dimethyl-1,3-propanediol and 2-propanol aluminum salt Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 3-oxo-, ethyl ester, polymer with 2,2-dimethyl-1,3-propanediol and 2-propanol aluminum salt
    • Butanoic acid, 3-oxo-, ethyl ester, polymer with 2,2-dimethyl-1,3-propanediol and 2-propanol a...
    • Butanoic acid, 3-oxo, ethyl ester, polymer with 2,2-dimethyl-1,3-propanediol and 2-propanol aluminium salt, mittlere Molmasse 1200-00 g
    • mol
    • Butanoic acid, 3-oxo, ethyl ester, polymer with 2,2-dimethyl-1,3-propanediol and 2-propanol aluminium salt, mittlere Molmasse 1200-00 g/mol
    • 115271-29-9
    • Inchi： 1S/C6H10O3.C5H12O2.3C3H7O.Al/c1-3-9-6(8)4-5(2)7;1-5(2,3-6)4-7;3*1-3(2)4;/h3-4H2,1-2H3;6-7H,3-4H2,1-2H3;3*3H,1-2H3;/q;;3*-1;+3
    • InChI Key： FJBVBKKSURSBFI-UHFFFAOYSA-N
    • SMILES： [Al+3].OCC(C)(C)CO.O(C(CC(C)=O)=O)CC.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C

Computed Properties

  • Exact Mass: 438.2773317g/mol
  • Monoisotopic Mass: 438.2773317g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 172
  • Covalently-Bonded Unit Count: 6
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 153?2

Butanoic acid, 3-oxo-, ethyl ester, polymer with 2,2-dimethyl-1,3-propanediol and 2-propanol aluminum salt Related Literature

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