Cas no 64570-28-1 (2-(4-Octylphenyl)acetic acid)

2-(4-Octylphenyl)acetic acid structure
2-(4-Octylphenyl)acetic acid structure
Product Name:2-(4-Octylphenyl)acetic acid
CAS No:64570-28-1
MF:C16H24O2
MW:248.360565185547
CID:1024161
PubChem ID:12387347
Update Time:2025-04-20

2-(4-Octylphenyl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Octylphenyl)acetic acid
    • DB-337665
    • SCHEMBL2674656
    • (4-OCTYLPHENYL)ACETIC ACID
    • 64570-28-1
    • p-octylphenylacetic acid
    • DTXSID00495816
    • RLSOOAYGFMAZRR-UHFFFAOYSA-N
    • 2-(4-Octylphenyl)aceticacid
    • Inchi: 1S/C16H24O2/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)13-16(17)18/h9-12H,2-8,13H2,1H3,(H,17,18)
    • InChI Key: RLSOOAYGFMAZRR-UHFFFAOYSA-N
    • SMILES: OC(CC1C=CC(=CC=1)CCCCCCCC)=O

Computed Properties

  • Exact Mass: 248.17772
  • Monoisotopic Mass: 248.177630004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 9
  • Complexity: 217
  • 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: 5.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

2-(4-Octylphenyl)acetic acid Pricemore >>

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