Cas no 61523-27-1 (1,3-Dioxane-5-acetic acid, 2-(1-methylethyl)-, trans-)

1,3-Dioxane-5-acetic acid, 2-(1-methylethyl)-, trans- structure
61523-27-1 structure
Product Name:1,3-Dioxane-5-acetic acid, 2-(1-methylethyl)-, trans-
CAS No:61523-27-1
MF:C9H16O4
MW:188.220943450928
CID:476233
Update Time:2024-01-30

1,3-Dioxane-5-acetic acid, 2-(1-methylethyl)-, trans- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxane-5-acetic acid, 2-(1-methylethyl)-, trans-
    • Inchi: 1S/C9H16O4/c1-6(2)9-12-4-7(5-13-9)3-8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)/t7-,9-
    • InChI Key: KDEKIEANHCIEDW-XWEPSHTISA-N
    • SMILES: O1C[C@H](CC(O)=O)CO[C@H]1C(C)C

Computed Properties

  • Exact Mass: 188.10488

Experimental Properties

  • Density: 1.088±0.06 g/cm3(Predicted)
  • Boiling Point: 311.3±17.0 °C(Predicted)
  • PSA: 55.76
  • pka: 4.44±0.10(Predicted)
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