Cas no 820237-59-0 (Benzaldehyde, 2-(2-hydroxyethoxy)-3-methyl-4-propoxy-)

Benzaldehyde, 2-(2-hydroxyethoxy)-3-methyl-4-propoxy- structure
820237-59-0 structure
Product Name:Benzaldehyde, 2-(2-hydroxyethoxy)-3-methyl-4-propoxy-
CAS No:820237-59-0
MF:C13H18O4
MW:238.279624462128
CID:700619
PubChem ID:11322366
Update Time:2025-04-19

Benzaldehyde, 2-(2-hydroxyethoxy)-3-methyl-4-propoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 2-(2-hydroxyethoxy)-3-methyl-4-propoxy-
    • 2-(2-hydroxyethoxy)-3-methyl-4-propoxybenzaldehyde
    • DTXSID70462333
    • 820237-59-0
    • SCHEMBL5444761
    • Inchi: 1S/C13H18O4/c1-3-7-16-12-5-4-11(9-15)13(10(12)2)17-8-6-14/h4-5,9,14H,3,6-8H2,1-2H3
    • InChI Key: PBOJSDAADHUOPD-UHFFFAOYSA-N
    • SMILES: O(CCC)C1C=CC(C=O)=C(C=1C)OCCO

Computed Properties

  • Exact Mass: 238.12050905g/mol
  • Monoisotopic Mass: 238.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 220
  • 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: 55.8?2
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