Cas no 150092-75-4 (Benzoic acid, 3,4-bis(methoxymethoxy)-, methyl ester)

Benzoic acid, 3,4-bis(methoxymethoxy)-, methyl ester structure
150092-75-4 structure
Product Name:Benzoic acid, 3,4-bis(methoxymethoxy)-, methyl ester
CAS No:150092-75-4
MF:C12H16O6
MW:256.251844406128
CID:1322906
PubChem ID:86164090
Update Time:2025-04-20

Benzoic acid, 3,4-bis(methoxymethoxy)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3,4-bis(methoxymethoxy)-, methyl ester
    • 150092-75-4
    • Methyl 3,4-bis(methoxymethoxy)benzoate
    • Inchi: 1S/C12H16O6/c1-14-7-17-10-5-4-9(12(13)16-3)6-11(10)18-8-15-2/h4-6H,7-8H2,1-3H3
    • InChI Key: NIUIBKIRPDXMTM-UHFFFAOYSA-N
    • SMILES: O(COC)C1C=C(C(=O)OC)C=CC=1OCOC

Computed Properties

  • Exact Mass: 256.09468
  • Monoisotopic Mass: 256.09468823g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 245
  • 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: 1.9
  • Topological Polar Surface Area: 63.2?2

Experimental Properties

  • PSA: 63.22
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