Cas no 82959-74-8 (3,6,9,12,15,18,21-Heptaoxatricosane, 1,23-bis(4-nitrophenoxy)-)

3,6,9,12,15,18,21-Heptaoxatricosane, 1,23-bis(4-nitrophenoxy)- structure
82959-74-8 structure
Product Name:3,6,9,12,15,18,21-Heptaoxatricosane, 1,23-bis(4-nitrophenoxy)-
CAS No:82959-74-8
MF:C28H40N2O13
MW:612.622809410095
CID:679880
PubChem ID:13072768
Update Time:2025-04-19

3,6,9,12,15,18,21-Heptaoxatricosane, 1,23-bis(4-nitrophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • 3,6,9,12,15,18,21-Heptaoxatricosane, 1,23-bis(4-nitrophenoxy)-
    • 1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
    • DTXSID90517359
    • 82959-74-8
    • 1,23-BIS(4-NITROPHENOXY)-3,6,9,12,15,18,21-HEPTAOXATRICOSANE
    • Inchi: 1S/C28H40N2O13/c31-29(32)25-1-5-27(6-2-25)42-23-21-40-19-17-38-15-13-36-11-9-35-10-12-37-14-16-39-18-20-41-22-24-43-28-7-3-26(4-8-28)30(33)34/h1-8H,9-24H2
    • InChI Key: YXKMRZDYSVMPAT-UHFFFAOYSA-N
    • SMILES: O(CCOCCOCCOCCOC1C=CC(=CC=1)[N+](=O)[O-])CCOCCOCCOCCOC1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 612.25303933g/mol
  • Monoisotopic Mass: 612.25303933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 26
  • Complexity: 623
  • 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: 1.7
  • Topological Polar Surface Area: 175?2
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