Cas no 820237-67-0 (Benzaldehyde, 2-(4-hydroxybutoxy)-3-methyl-4-propoxy-)

Benzaldehyde, 2-(4-hydroxybutoxy)-3-methyl-4-propoxy- structure
820237-67-0 structure
Product Name:Benzaldehyde, 2-(4-hydroxybutoxy)-3-methyl-4-propoxy-
CAS No:820237-67-0
MF:C15H22O4
MW:266.332785129547
CID:700611
PubChem ID:11230905
Update Time:2025-04-19

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

Names and Identifiers

    • Benzaldehyde, 2-(4-hydroxybutoxy)-3-methyl-4-propoxy-
    • 2-(4-hydroxybutoxy)-3-methyl-4-propoxybenzaldehyde
    • 2-(4-Hydroxy-butoxy)-3-methyl-4-propoxy-benzaldehyde
    • 820237-67-0
    • VWOARJNYUGBRKX-UHFFFAOYSA-N
    • DTXSID30459527
    • SCHEMBL5446680
    • Inchi: 1S/C15H22O4/c1-3-9-18-14-7-6-13(11-17)15(12(14)2)19-10-5-4-8-16/h6-7,11,16H,3-5,8-10H2,1-2H3
    • InChI Key: VWOARJNYUGBRKX-UHFFFAOYSA-N
    • SMILES: O(C1C(C=O)=CC=C(C=1C)OCCC)CCCCO

Computed Properties

  • Exact Mass: 266.15180918g/mol
  • Monoisotopic Mass: 266.15180918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 9
  • Complexity: 244
  • 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: 2.6
  • Topological Polar Surface Area: 55.8?2
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