Cas no 5638-30-2 (3-Phenylheptanoic acid)

3-Phenylheptanoic acid structure
3-Phenylheptanoic acid structure
Product Name:3-Phenylheptanoic acid
CAS No:5638-30-2
MF:C13H18O2
MW:206.280824184418
CID:378939
PubChem ID:572145
Update Time:2024-02-29

3-Phenylheptanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoic acid, b-butyl-
    • β-Butylbenzenepropanoic acid
    • 3-Phenylheptanoic acid
    • Heptanoic acid, 3-phenyl-
    • Hydrocinnamicacid, b-butyl- (6CI,7CI,8CI)
    • beta-Butylbenzenepropanoic acid
    • YEUNYNJOKMJRMC-UHFFFAOYSA-N
    • Inchi: 1S/C13H18O2/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,14,15)
    • InChI Key: YEUNYNJOKMJRMC-UHFFFAOYSA-N
    • SMILES: OC(CC(C1C=CC=CC=1)CCCC)=O

Computed Properties

  • Exact Mass: 206.130679813g/mol
  • Monoisotopic Mass: 206.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 183
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 37.3

3-Phenylheptanoic acid Pricemore >>

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