Cas no 1145-15-9 (5-(3,4-dimethoxyphenyl)pentanoic acid)

5-(3,4-dimethoxyphenyl)pentanoic acid structure
1145-15-9 structure
Product Name:5-(3,4-dimethoxyphenyl)pentanoic acid
CAS No:1145-15-9
MF:C13H18O4
MW:238.279624462128
MDL:MFCD02169623
CID:222180
PubChem ID:240459
Update Time:2025-04-19

5-(3,4-dimethoxyphenyl)pentanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzenepentanoic acid,3,4-dimethoxy-
    • 5-(3,4-dimethoxyphenyl)pentanoic acid
    • 5-(3,4-Dimethoxyphenyl)valeriansaeure
    • 5-(3,4-Dimethoxy-phenyl)-valeriansaeure
    • 5-(3,4-dimethoxy-phenyl)-valeric acid
    • AC1Q5W3R
    • AR-1G5133
    • CTK4A8774
    • NSC46662
    • SureCN7095615
    • AKOS005878418
    • SCHEMBL7095615
    • 5-(3,4-dimethoxyphenyl)pentanoicacid
    • DTXSID30286613
    • 1145-15-9
    • Benzenepentanoic acid, 3,4-dimethoxy-
    • PIVDEYCOOAOYEI-UHFFFAOYSA-N
    • NSC-46662
    • EN300-352308
    • Z361415540
    • CS-0247003
    • BAA14515
    • MDL: MFCD02169623
    • Inchi: 1S/C13H18O4/c1-16-11-8-7-10(9-12(11)17-2)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
    • InChI Key: PIVDEYCOOAOYEI-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=CC(=C1)CCCCC(=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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76

5-(3,4-dimethoxyphenyl)pentanoic acid Pricemore >>

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