Cas no 62622-63-3 (Phenol, 2,3,4,5-tetramethyl-6-nitro-)

Phenol, 2,3,4,5-tetramethyl-6-nitro- structure
62622-63-3 structure
Product Name:Phenol, 2,3,4,5-tetramethyl-6-nitro-
CAS No:62622-63-3
MF:C10H13NO3
MW:195.215122938156
CID:437615
PubChem ID:12346657
Update Time:2025-04-19

Phenol, 2,3,4,5-tetramethyl-6-nitro- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2,3,4,5-tetramethyl-6-nitro-
    • 2,3,4,5-tetramethyl-6-nitrophenol
    • SCHEMBL13212272
    • DTXSID30492813
    • 62622-63-3
    • Inchi： 1S/C10H13NO3/c1-5-6(2)8(4)10(12)9(7(5)3)11(13)14/h12H,1-4H3
    • InChI Key： SVKYVXSVUZDQAI-UHFFFAOYSA-N
    • SMILES： OC1C(=C(C)C(C)=C(C)C=1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 195.08959
  • Monoisotopic Mass: 195.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 226
  • 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: 3.4
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • PSA: 63.37

Phenol, 2,3,4,5-tetramethyl-6-nitro- Related Literature

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