Cas no 138668-24-3 ((7R,8R)-7-nitrodecane-1,8-diol)

(7R,8R)-7-nitrodecane-1,8-diol structure
138668-24-3 structure
Product Name:(7R,8R)-7-nitrodecane-1,8-diol
CAS No:138668-24-3
MF:C10H21NO4
MW:219.27804350853
CID:1254429
PubChem ID:6451266
Update Time:2025-04-20

(7R,8R)-7-nitrodecane-1,8-diol Chemical and Physical Properties

Names and Identifiers

    • (7R,8R)-7-nitrodecane-1,8-diol
    • 138668-24-3
    • 1,8-Decanediol, 7-nitro-, (R*,R*)-
    • DTXSID50160749
    • Inchi： 1S/C10H21NO4/c1-2-10(13)9(11(14)15)7-5-3-4-6-8-12/h9-10,12-13H,2-8H2,1H3/t9-,10-/m1/s1
    • InChI Key： UTGBPRBRYVTSGJ-NXEZZACHSA-N
    • SMILES： O[C@H](CC)[C@@H](CCCCCCO)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 219.14713
  • Monoisotopic Mass: 219.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 8
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 86.3?2

Experimental Properties

  • Density: 1.084
  • Boiling Point: 351.9°C at 760 mmHg
  • Flash Point: 146°C
  • Refractive Index: 1.479
  • PSA: 83.6

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