Cas no 113245-36-6 (Benzene, 1,2-bis(ethoxymethyl)-)

Benzene, 1,2-bis(ethoxymethyl)- structure
113245-36-6 structure
Product Name:Benzene, 1,2-bis(ethoxymethyl)-
CAS No:113245-36-6
MF:C12H18O2
MW:194.270123958588
CID:1204127
PubChem ID:11819957
Update Time:2025-04-20

Benzene, 1,2-bis(ethoxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,2-bis(ethoxymethyl)-
    • 1,2-bis(ethoxymethyl)benzene
    • 113245-36-6
    • DTXSID90473749
    • SCHEMBL648250
    • Inchi: 1S/C12H18O2/c1-3-13-9-11-7-5-6-8-12(11)10-14-4-2/h5-8H,3-4,9-10H2,1-2H3
    • InChI Key: XYIPHTQPSAWREL-UHFFFAOYSA-N
    • SMILES: O(CC)CC1C=CC=CC=1COCC

Computed Properties

  • Exact Mass: 194.13074
  • Monoisotopic Mass: 194.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 120
  • 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
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
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