Cas no 20500-53-2 (3-Cyclohepten-1-one, 4-methyl-)

3-Cyclohepten-1-one, 4-methyl- structure
20500-53-2 structure
Product Name:3-Cyclohepten-1-one, 4-methyl-
CAS No:20500-53-2
MF:C8H12O
MW:124.180282592773
CID:1394318
Update Time:2024-08-15

3-Cyclohepten-1-one, 4-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Cyclohepten-1-one, 4-methyl-
    • Inchi: 1S/C8H12O/c1-7-3-2-4-8(9)6-5-7/h5H,2-4,6H2,1H3
    • InChI Key: OTJOXWHGZCPLJR-UHFFFAOYSA-N
    • SMILES: C1(=O)CCCC(C)=CC1

Computed Properties

  • Exact Mass: 124.08886

Experimental Properties

  • Density: 0.940±0.06 g/cm3(Predicted)
  • Boiling Point: 192.5±19.0 °C(Predicted)
  • PSA: 17.07
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