Cas no 844634-14-6 (Propanoic acid, 3-(4-methylphenoxy)-, 4-formyl-2-methoxyphenyl ester)

Propanoic acid, 3-(4-methylphenoxy)-, 4-formyl-2-methoxyphenyl ester structure
844634-14-6 structure
Product Name:Propanoic acid, 3-(4-methylphenoxy)-, 4-formyl-2-methoxyphenyl ester
CAS No:844634-14-6
MF:C18H18O5
MW:314.332525730133
CID:667159
PubChem ID:12103063
Update Time:2025-04-19

Propanoic acid, 3-(4-methylphenoxy)-, 4-formyl-2-methoxyphenyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 3-(4-methylphenoxy)-, 4-formyl-2-methoxyphenyl ester
    • (4-formyl-2-methoxyphenyl) 3-(4-methylphenoxy)propanoate
    • 844634-14-6
    • DTXSID70477624
    • Inchi: 1S/C18H18O5/c1-13-3-6-15(7-4-13)22-10-9-18(20)23-16-8-5-14(12-19)11-17(16)21-2/h3-8,11-12H,9-10H2,1-2H3
    • InChI Key: PXUMJAOHSAVTKY-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C)=CC=1)CCC(=O)OC1C=CC(C=O)=CC=1OC

Computed Properties

  • Exact Mass: 314.11542367g/mol
  • Monoisotopic Mass: 314.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 8
  • Complexity: 376
  • 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: 3.1
  • Topological Polar Surface Area: 61.8?2
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