Cas no 58526-36-6 (3-(4-Methylphenyl)butanoic acid)

3-(4-Methylphenyl)butanoic acid structure
58526-36-6 structure
Product Name:3-(4-Methylphenyl)butanoic acid
CAS No:58526-36-6
MF:C11H14O2
MW:178.227663516998
CID:379558
Update Time:2023-08-03

3-(4-Methylphenyl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoic acid, b,4-dimethyl- (9CI)
    • Curcumicacid
    • 3-(4-methylphenyl)butanoic acid
    • 3-(p-Tolyl)butanoic acid
    • Curcumic acid
    • Benzenepropanoic acid, beta,4-dimethyl-
    • 3-p-tolyl-butyric acid
    • NSC112676
    • 3-(4-Methylphenyl)butanoic acid
    • Inchi: 1S/C11H14O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
    • InChI Key: ZWWPDLKCTGONCK-UHFFFAOYSA-N
    • SMILES: OC(CC(C)C1C=CC(C)=CC=1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 169
  • XLogP3: 2.5
  • Topological Polar Surface Area: 37.3

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