Cas no 71155-68-5 ([3-(acetyloxy)-4-methoxyphenyl]methanediyl diacetate)

[3-(acetyloxy)-4-methoxyphenyl]methanediyl diacetate structure
71155-68-5 structure
Product Name:[3-(acetyloxy)-4-methoxyphenyl]methanediyl diacetate
CAS No:71155-68-5
MF:C14H16O7
MW:296.272644996643
CID:976158
PubChem ID:262290
Update Time:2025-04-19

[3-(acetyloxy)-4-methoxyphenyl]methanediyl diacetate Chemical and Physical Properties

Names and Identifiers

    • [3-(acetyloxy)-4-methoxyphenyl]methanediyl diacetate
    • [5-(diacetyloxymethyl)-2-methoxyphenyl] acetate
    • NSC95743
    • DTXSID10294296
    • NCIOpen2_006026
    • 71155-68-5
    • NSC-95743
    • Inchi: 1S/C14H16O7/c1-8(15)19-13-7-11(5-6-12(13)18-4)14(20-9(2)16)21-10(3)17/h5-7,14H,1-4H3
    • InChI Key: NKTWGBVMIBQCSI-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C(C1C=CC(=C(C=1)OC(C)=O)OC)OC(C)=O

Computed Properties

  • Exact Mass: 296.08958
  • Monoisotopic Mass: 296.08960285g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 8
  • Complexity: 377
  • 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: 1.4
  • Topological Polar Surface Area: 88.1?2

Experimental Properties

  • PSA: 88.13
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