Cas no 69832-53-7 (Benzene, 2-ethoxy-1,3,5-trimethoxy-)

Benzene, 2-ethoxy-1,3,5-trimethoxy- structure
69832-53-7 structure
Product Name:Benzene, 2-ethoxy-1,3,5-trimethoxy-
CAS No:69832-53-7
MF:C11H16O4
MW:212.242343902588
CID:391260
PubChem ID:12494695
Update Time:2025-04-19

Benzene, 2-ethoxy-1,3,5-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2-ethoxy-1,3,5-trimethoxy-
    • 2-ethoxy-1,3,5-trimethoxybenzene
    • 69832-53-7
    • DTXSID80500331
    • SCHEMBL23458033
    • Inchi: 1S/C11H16O4/c1-5-15-11-9(13-3)6-8(12-2)7-10(11)14-4/h6-7H,5H2,1-4H3
    • InChI Key: ITVAPXGZNLMYMJ-UHFFFAOYSA-N
    • SMILES: O(CC)C1C(=CC(=CC=1OC)OC)OC

Computed Properties

  • Exact Mass: 212.10488
  • Monoisotopic Mass: 212.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 160
  • 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: 2.2
  • Topological Polar Surface Area: 36.9?2

Experimental Properties

  • PSA: 36.92
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