Cas no 123774-64-1 (2-Ethylhexanoyloxyaluminum;dihydrate)

2-Ethylhexanoyloxyaluminum;dihydrate structure
123774-64-1 structure
Product Name:2-Ethylhexanoyloxyaluminum;dihydrate
CAS No:123774-64-1
MF:C8H19AlO4
MW:206.2156021595
CID:195354
Update Time:2023-08-02

2-Ethylhexanoyloxyaluminum;dihydrate Chemical and Physical Properties

Names and Identifiers

    • Aluminum,(2-ethylhexanoato-kO)dihydroxy-
    • Aluminum, (2-ethylhexanoato-O)dihydroxy-
    • 2-Ethylhexanoyloxyaluminum;dihydrate
    • Inchi: 1S/C8H16O2.Al.2H2O/c1-3-5-6-7(4-2)8(9)10;;;/h7H,3-6H2,1-2H3,(H,9,10);;2*1H2/q;+1;;/p-1
    • InChI Key: FHXOUGNUEWHDMV-UHFFFAOYSA-M
    • SMILES: [Al]OC(C(CC)CCCC)=O.O.O |^4:0|

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 119
  • Topological Polar Surface Area: 28.3
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