Cas no 62678-14-2 (1H-Indene-1-butanoic acid, 2,3-dihydro-4,6-dimethyl-)

1H-Indene-1-butanoic acid, 2,3-dihydro-4,6-dimethyl- structure
62678-14-2 structure
Product Name:1H-Indene-1-butanoic acid, 2,3-dihydro-4,6-dimethyl-
CAS No:62678-14-2
MF:C15H20O2
MW:232.318104743958
CID:435543
PubChem ID:12322908
Update Time:2025-04-19

1H-Indene-1-butanoic acid, 2,3-dihydro-4,6-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indene-1-butanoic acid, 2,3-dihydro-4,6-dimethyl-
    • 4-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)butanoic acid
    • DTXSID40488909
    • 62678-14-2
    • Inchi: 1S/C15H20O2/c1-10-8-11(2)13-7-6-12(14(13)9-10)4-3-5-15(16)17/h8-9,12H,3-7H2,1-2H3,(H,16,17)
    • InChI Key: GFZKHSWXJGHAOA-UHFFFAOYSA-N
    • SMILES: OC(CCCC1C2C=C(C)C=C(C)C=2CC1)=O

Computed Properties

  • Exact Mass: 232.1464
  • Monoisotopic Mass: 232.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 274
  • 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: 3.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
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