Cas no 5780-08-5 (isoduryl aldehyde)

isoduryl aldehyde structure
isoduryl aldehyde structure
Product Name:isoduryl aldehyde
CAS No:5780-08-5
MF:C11H14O
MW:162.228263378143
CID:947585
PubChem ID:14317407
Update Time:2025-04-19

isoduryl aldehyde Chemical and Physical Properties

Names and Identifiers

    • isoduryl aldehyde
    • Isoduraldehyde;isoduryl aldehyde;2,3,4,6-Tetramethylbenzaldehyde
    • 5780-08-5
    • SCHEMBL1313257
    • 2,3,4,6-tetramethylbenzaldehyde
    • DTOFEMYKPRSKBB-UHFFFAOYSA-N
    • Benzaldehyde, 2,3,4,6-tetramethyl-
    • 2,3,4,6-tetramethyl-benzaldehyde
    • Inchi： 1S/C11H14O/c1-7-5-8(2)11(6-12)10(4)9(7)3/h5-6H,1-4H3
    • InChI Key： DTOFEMYKPRSKBB-UHFFFAOYSA-N
    • SMILES： O=CC1=C(C)C=C(C)C(C)=C1C

Computed Properties

  • Exact Mass: 162.104465066g/mol
  • Monoisotopic Mass: 162.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 164
  • 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: 2.8
  • Topological Polar Surface Area: 17.1?2

isoduryl aldehyde Related Literature

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