Cas no 35322-84-0 (1H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl-)

1H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl- structure
35322-84-0 structure
Product Name:1H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl-
CAS No:35322-84-0
MF:C12H14O
MW:174.238963603973
CID:1469482
PubChem ID:594541
Update Time:2025-04-20

1H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl-
    • 3,4,7-trimethyl-2,3-dihydroinden-1-one
    • 3MYW0T942R
    • 35322-84-0
    • 1-Indanone, 3,4,7-trimethyl-
    • DTXSID00344118
    • DB-240743
    • 2,3-Dihydro-3,4,7-trimethyl-1H-inden-1-one
    • 3,4,7-Tetramethyl-alpha-indanone
    • 3,4,7-trimethylindan-1-one
    • SCHEMBL9055083
    • 3,4,7-TETRAMETHYL-.ALPHA.-INDANONE
    • AKOS013133432
    • 3,4,7-Trimethyl-1-indanone
    • UNII-3MYW0T942R
    • 3,4,7-Trimethyl-2,3-dihydro-1H-indene-1-one
    • Inchi: 1S/C12H14O/c1-7-4-5-8(2)12-10(13)6-9(3)11(7)12/h4-5,9H,6H2,1-3H3
    • InChI Key: FSBIQEDMEKAAMA-UHFFFAOYSA-N
    • SMILES: O=C1C2C(C)=CC=C(C)C=2C(C)C1

Computed Properties

  • Exact Mass: 174.10452
  • Monoisotopic Mass: 174.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 221
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.7
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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