Cas no 877130-83-1 (Benzene, 1-methyl-2-nitro-4-propoxy-)

Benzene, 1-methyl-2-nitro-4-propoxy- structure
877130-83-1 structure
Product Name:Benzene, 1-methyl-2-nitro-4-propoxy-
CAS No:877130-83-1
MF:C10H13NO3
MW:195.215122938156
CID:653140
PubChem ID:58764279
Update Time:2025-04-19

Benzene, 1-methyl-2-nitro-4-propoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-methyl-2-nitro-4-propoxy-
    • 1-methyl-2-nitro-4-propoxybenzene
    • SCHEMBL4228943
    • 1-Methyl-2-nitro-4-propoxy-benzene
    • 877130-83-1
    • DTXSID90729899
    • WCZYNYMYRMVSHM-UHFFFAOYSA-N
    • Inchi: 1S/C10H13NO3/c1-3-6-14-9-5-4-8(2)10(7-9)11(12)13/h4-5,7H,3,6H2,1-2H3
    • InChI Key: WCZYNYMYRMVSHM-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C)=C(C=1)[N+](=O)[O-])CCC

Computed Properties

  • Exact Mass: 195.08954328g/mol
  • Monoisotopic Mass: 195.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 190
  • 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: 3.3
  • Topological Polar Surface Area: 55?2
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