Cas no 13224-31-2 (2-nitro(2-~2~H)propane)

2-nitro(2-~2~H)propane structure
2-nitro(2-~2~H)propane structure
Product Name:2-nitro(2-~2~H)propane
CAS No:13224-31-2
MF:C3H7NO2
MW:90.09934258461
CID:1230007
PubChem ID:166786
Update Time:2025-04-20

2-nitro(2-~2~H)propane Chemical and Physical Properties

Names and Identifiers

    • 2-nitro(2-~2~H)propane
    • 2-deuterio-2-nitropropane
    • 13224-31-2
    • Propane-2-d, 2-nitro-
    • DTXSID20157449
    • 2-Deutero-2-nitropropane
    • Propane, 2-deutero-2-nitro-
    • 2-Nitro-2-propane-2-D
    • Inchi: 1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3/i3D
    • InChI Key: FGLBSLMDCBOPQK-WFVSFCRTSA-N
    • SMILES: [O-][N+](C([2H])(C)C)=O

Computed Properties

  • Exact Mass: 90.053955212g/mol
  • Monoisotopic Mass: 90.053955212g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 54.3
  • 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: 0.8
  • Topological Polar Surface Area: 45.8?2
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