Cas no 646450-34-2 (Phosphoric acid, 2-methylpropyl dipropyl ester)

Phosphoric acid, 2-methylpropyl dipropyl ester structure
646450-34-2 structure
Product Name:Phosphoric acid, 2-methylpropyl dipropyl ester
CAS No:646450-34-2
MF:C10H23O4P
MW:238.260984659195
CID:420893
PubChem ID:71379383
Update Time:2025-04-19

Phosphoric acid, 2-methylpropyl dipropyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphoric acid, 2-methylpropyl dipropyl ester
    • 2-methylpropyl dipropyl phosphate
    • DTXSID20801955
    • 646450-34-2
    • Inchi: 1S/C10H23O4P/c1-5-7-12-15(11,13-8-6-2)14-9-10(3)4/h10H,5-9H2,1-4H3
    • InChI Key: NWDMRJLNQJIIAH-UHFFFAOYSA-N
    • SMILES: P(=O)(OCCC)(OCCC)OCC(C)C

Computed Properties

  • Exact Mass: 238.13349
  • Monoisotopic Mass: 238.13339621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 9
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76
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