Cas no 127027-20-7 (Octanedioic acid, 2-(acetylamino)-)

Octanedioic acid, 2-(acetylamino)- structure
127027-20-7 structure
Product Name:Octanedioic acid, 2-(acetylamino)-
CAS No:127027-20-7
MF:C10H17NO5
MW:231.245683431625
CID:1220829
Update Time:2024-08-05

Octanedioic acid, 2-(acetylamino)- Chemical and Physical Properties

Names and Identifiers

    • Octanedioic acid, 2-(acetylamino)-
    • (2SR)-acetylaminosuberic acid
    • Inchi: 1S/C10H17NO5/c1-7(12)11-8(10(15)16)5-3-2-4-6-9(13)14/h8H,2-6H2,1H3,(H,11,12)(H,13,14)(H,15,16)
    • InChI Key: GMOIZSZJPCCOBS-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C(NC(C)=O)CCCCCC(O)=O

Computed Properties

  • Exact Mass: 231.11100

Experimental Properties

  • Density: 1.222±0.06 g/cm3(Predicted)
  • Boiling Point: 522.6±45.0 °C(Predicted)
  • PSA: 103.70000
  • LogP: 1.00170
  • pka: 3.65±0.10(Predicted)
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