Cas no 658081-53-9 (Cycloheptanone, 3-(4-methoxyphenyl)-, (3S)-)

Cycloheptanone, 3-(4-methoxyphenyl)-, (3S)- structure
658081-53-9 structure
Product Name:Cycloheptanone, 3-(4-methoxyphenyl)-, (3S)-
CAS No:658081-53-9
MF:C14H18O2
MW:218.291524410248
CID:1703030
Update Time:2024-09-02

Cycloheptanone, 3-(4-methoxyphenyl)-, (3S)- Chemical and Physical Properties

Names and Identifiers

    • Cycloheptanone, 3-(4-methoxyphenyl)-, (3S)-
    • Inchi: 1S/C14H18O2/c1-16-14-8-6-11(7-9-14)12-4-2-3-5-13(15)10-12/h6-9,12H,2-5,10H2,1H3/t12-/m0/s1
    • InChI Key: IQFLTDZYVXPUCE-LBPRGKRZSA-N
    • SMILES: C1(=O)CCCC[C@H](C2=CC=C(OC)C=C2)C1

Computed Properties

  • Exact Mass: 218.13074

Experimental Properties

  • Density: 1.045±0.06 g/cm3(Predicted)
  • Boiling Point: 351.8±42.0 °C(Predicted)
  • PSA: 26.3
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