Cas no 656810-09-2 (Benzaldehyde, 3-ethoxy-4-(3-hydroxypropoxy)-)

Benzaldehyde, 3-ethoxy-4-(3-hydroxypropoxy)- structure
656810-09-2 structure
Product Name:Benzaldehyde, 3-ethoxy-4-(3-hydroxypropoxy)-
CAS No:656810-09-2
MF:C12H16O4
MW:224.253044128418
CID:397657
PubChem ID:24971964
Update Time:2025-04-19

Benzaldehyde, 3-ethoxy-4-(3-hydroxypropoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-ethoxy-4-(3-hydroxypropoxy)-
    • 3-ethoxy-4-(3-hydroxypropoxy)benzaldehyde
    • DTXSID60648124
    • 656810-09-2
    • 3-ethoxy-4-(3-hydroxy-propoxy)-benzaldehyde
    • Inchi: 1S/C12H16O4/c1-2-15-12-8-10(9-14)4-5-11(12)16-7-3-6-13/h4-5,8-9,13H,2-3,6-7H2,1H3
    • InChI Key: FJVZNSMDTOOFBT-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C=O)=CC=1OCC)CCCO

Computed Properties

  • Exact Mass: 224.10488
  • Monoisotopic Mass: 224.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 196
  • 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: 1.6
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76
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