Cas no 7250-66-0 (3-(2,4,6-trimethylphenyl)propanoic acid)

3-(2,4,6-trimethylphenyl)propanoic acid structure
7250-66-0 structure
Product Name:3-(2,4,6-trimethylphenyl)propanoic acid
CAS No:7250-66-0
MF:C12H16O2
MW:192.254243850708
CID:977237
PubChem ID:232536
Update Time:2025-09-23

3-(2,4,6-trimethylphenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2,4,6-trimethylphenyl)propanoic acid
    • 3-mesitylpropionic acid
    • 3-Mesityl-propionsaeure
    •  
    • NSC-30124
    • SCHEMBL14988768
    • DTXSID20283156
    • AKOS000184085
    • EN300-1846400
    • NSC30124
    • 7250-66-0
    • OFSCKDYOWMQEQK-UHFFFAOYSA-N
    • 3-Mesitylpropanoic acid
    • Inchi: 1S/C12H16O2/c1-8-6-9(2)11(10(3)7-8)4-5-12(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
    • InChI Key: OFSCKDYOWMQEQK-UHFFFAOYSA-N
    • SMILES: OC(CCC1C(C)=CC(C)=CC=1C)=O

Computed Properties

  • Exact Mass: 192.11500
  • Monoisotopic Mass: 192.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 189
  • 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

  • Density: 1.055
  • Boiling Point: 327.2°C at 760 mmHg
  • Flash Point: 224.2°C
  • Refractive Index: 1.532
  • PSA: 37.30000
  • LogP: 2.62900

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