Cas no 6943-79-9 (4-(2-methylphenyl)butanoic acid)

4-(2-methylphenyl)butanoic acid structure
6943-79-9 structure
Product Name:4-(2-methylphenyl)butanoic acid
CAS No:6943-79-9
MF:C11H14O2
MW:178.227663516998
MDL:MFCD00029856
CID:834633
PubChem ID:244163
Update Time:2024-02-29

4-(2-methylphenyl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(o-Tolyl)butanoic acid
    • 4-(2-methylphenyl)butanoic acid
    • 4-o-tolylbutanoic acid
    • 2-methyl-benzenebutanoic acid
    • 4-(2'-Tolyl)butyric acid
    • 4-o-Tolyl-buttersaeure
    • 4-o-tolylbutyric acid
    • 4-o-tolyl-butyric acid
    • AC1L6D3R
    • AC1Q2NR7
    • AC1Q5W11
    • CTK2F4742
    • NSC54789
    • SureCN3673001
    • AKOS013528601
    • CS-0317317
    • E80305
    • MFCD00029856
    • toluene-butyric acid
    • FT-0726406
    • 4-(o-Tolyl)butanoicacid
    • 6943-79-9
    • DTXSID60288226
    • A846876
    • NS-01529
    • SCHEMBL3673001
    • NSC-54789
    • MDL: MFCD00029856
    • Inchi: 1S/C11H14O2/c1-9-5-2-3-6-10(9)7-4-8-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H,12,13)
    • InChI Key: NIFKEMVXLXJUSL-UHFFFAOYSA-N
    • SMILES: OC(CCCC1C=CC=CC=1C)=O

Computed Properties

  • Exact Mass: 178.09942
  • Monoisotopic Mass: 178.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 166
  • 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: 2.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
  • LogP: 2.40230

4-(2-methylphenyl)butanoic acid Pricemore >>

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