Cas no 51926-65-9 (Benzaldehyde, 3-methoxy-2,4,6-trimethyl-)

Benzaldehyde, 3-methoxy-2,4,6-trimethyl- structure
51926-65-9 structure
Product Name:Benzaldehyde, 3-methoxy-2,4,6-trimethyl-
CAS No:51926-65-9
MF:C11H14O2
MW:178.227663516998
CID:361045
PubChem ID:10899232
Update Time:2025-04-19

Benzaldehyde, 3-methoxy-2,4,6-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-methoxy-2,4,6-trimethyl-
    • 3-methoxy-2,4,6-trimethylbenzaldehyde
    • OENWGGJKHLGJPL-UHFFFAOYSA-N
    • 51926-65-9
    • SCHEMBL10504348
    • DTXSID40447612
    • Inchi: 1S/C11H14O2/c1-7-5-8(2)11(13-4)9(3)10(7)6-12/h5-6H,1-4H3
    • InChI Key: OENWGGJKHLGJPL-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C)C=C(C)C(C=O)=C1C

Computed Properties

  • Exact Mass: 178.09942
  • Monoisotopic Mass: 178.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 2.4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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