Cas no 33813-32-0 (Ditert-butyl benzene-1,3-dicarboxylate)

Ditert-butyl benzene-1,3-dicarboxylate structure
33813-32-0 structure
Product Name:Ditert-butyl benzene-1,3-dicarboxylate
CAS No:33813-32-0
MF:C16H22O4
MW:278.343485355377
MDL:MFCD03840744
CID:323137
PubChem ID:428835
Update Time:2025-04-19

Ditert-butyl benzene-1,3-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Ditert-butyl benzene-1,3-dicarboxylate
    • BIS (TERT-BUTYL) ISOPHTHALATE
    • AB16592
    • AC1L8MC1
    • Di-t-butyl-isophthalat
    • di-tert-butyl isophthalate
    • Isophthalsaeure-di-tert.-butylester
    • NSC243724
    • SureCN110296
    • AKOS015960818
    • SCHEMBL110296
    • Bis-(tert-butyl)-isophthalate
    • E79654
    • J-019329
    • DTXSID60330315
    • AC-12322
    • JCBDRGVENJADNA-UHFFFAOYSA-N
    • 33813-32-0
    • NSC-243724
    • MDL: MFCD03840744
    • Inchi: 1S/C16H22O4/c1-15(2,3)19-13(17)11-8-7-9-12(10-11)14(18)20-16(4,5)6/h7-10H,1-6H3
    • InChI Key: JCBDRGVENJADNA-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=C(C=1)C(=O)OC(C)(C)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 278.15186
  • Monoisotopic Mass: 278.15180918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 326
  • 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: 3.6
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

Ditert-butyl benzene-1,3-dicarboxylate Pricemore >>

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