Cas no 133088-94-5 (1-Heptanol, 7-nitro-)

1-Heptanol, 7-nitro- structure
1-Heptanol, 7-nitro- structure
Product Name:1-Heptanol, 7-nitro-
CAS No:133088-94-5
MF:C7H15NO3
MW:161.198902368546
MDL:MFCD32642355
CID:228073
PubChem ID:179908
Update Time:2025-07-13

1-Heptanol, 7-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1-Heptanol, 7-nitro-
    • 7-nitroheptan-1-ol
    • 7-nitro-1-heptanol
    • 133088-94-5
    • SY266583
    • SCHEMBL6381540
    • DTXSID20157949
    • MFCD32642355
    • MDL: MFCD32642355
    • Inchi: 1S/C7H15NO3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2
    • InChI Key: NSQGVCPOJCWINW-UHFFFAOYSA-N
    • SMILES: OCCCCCCC[N+](=O)[O-]

Computed Properties

  • Exact Mass: 161.10525
  • Monoisotopic Mass: 161.105193
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 100
  • 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
  • Topological Polar Surface Area: 66
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.044
  • Boiling Point: 265.5°Cat760mmHg
  • Flash Point: 113.5°C
  • Refractive Index: 1.456
  • PSA: 63.37

1-Heptanol, 7-nitro- Pricemore >>

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