Cas no 106033-08-3 (3-Hexanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-)

3-Hexanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)- structure
106033-08-3 structure
Product Name:3-Hexanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-
CAS No:106033-08-3
MF:C13H18O4
MW:238.279624462128
CID:1168717
Update Time:2024-07-26

3-Hexanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)- Chemical and Physical Properties

Names and Identifiers

    • 3-Hexanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-
    • 3-Hexanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
    • Inchi: 1S/C13H18O4/c1-9(14)7-11(15)5-3-10-4-6-12(16)13(8-10)17-2/h4,6,8-9,14,16H,3,5,7H2,1-2H3/t9-/m0/s1
    • InChI Key: GSOILIDXYXGEBY-VIFPVBQESA-N
    • SMILES: C(C1=CC=C(O)C(OC)=C1)CC(=O)C[C@@H](O)C

Computed Properties

  • Exact Mass: 238.12054

Experimental Properties

  • Density: 1.158±0.06 g/cm3(Predicted)
  • Boiling Point: 406.8±35.0 °C(Predicted)
  • PSA: 66.76
  • pka: 10.02±0.20(Predicted)
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