Cas no 103395-07-9 (5-(2,4-dimethoxyphenyl)pentanoic Acid)

5-(2,4-dimethoxyphenyl)pentanoic Acid structure
103395-07-9 structure
Product Name:5-(2,4-dimethoxyphenyl)pentanoic Acid
CAS No:103395-07-9
MF:C13H18O4
MW:238.279624462128
CID:1136872
PubChem ID:7471976
Update Time:2025-04-20

5-(2,4-dimethoxyphenyl)pentanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-(2,4-dimethoxyphenyl)pentanoic Acid
    • 5-(2,4-dimethoxy-phenyl)-valeric acid
    • AC1OMML6
    • CTK0D8579
    • 5-(2,4-Dimethoxy-phenyl)-valeriansaeure
    • AN-584/43307930
    • Benzenepentanoic acid, 2,4-dimethoxy-
    • SureCN4419943
    • SBB098946
    • ACMC-20m691
    • 5-(2,4-dimethoxy-phenyl)-valeric acid; AC1OMML6; CTK0D8579; 5-(2,4-Dimethoxy-phenyl)-valeriansaeure; AN-584/43307930; Benzenepentanoic acid, 2,4-dimethoxy-; SureCN4419943; SBB098946; ACMC-20m691;
    • 103395-07-9
    • SY364799
    • RFDYHAGXJFZRFL-UHFFFAOYSA-N
    • AKOS005877708
    • MFCD07776978
    • SCHEMBL4419943
    • DTXSID90428673
    • Inchi: 1S/C13H18O4/c1-16-11-8-7-10(12(9-11)17-2)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
    • InChI Key: RFDYHAGXJFZRFL-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C=CC=1CCCCC(=O)O)OC

Computed Properties

  • Exact Mass: 238.12054
  • 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: 230
  • 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: 2.7
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76
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