Cas no 39192-54-6 (1-Heptanone,1-(3,5-dihydroxyphenyl)-)

1-Heptanone,1-(3,5-dihydroxyphenyl)- structure
39192-54-6 structure
Product Name:1-Heptanone,1-(3,5-dihydroxyphenyl)-
CAS No:39192-54-6
MF:C13H18O3
MW:222.280224323273
CID:297514
Update Time:2024-02-29

1-Heptanone,1-(3,5-dihydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Heptanone,1-(3,5-dihydroxyphenyl)-
    • Heptanophenone,3',5'-dihydroxy- (6CI)
    • 1-(3,5-dihydroxyphenyl)heptan-1-one
    • 1-(3,5-HYDROXYPHENYL) HEPTANONE
    • 1-Heptanone, 1-(3,5-dihydroxyphenyl)-
    • Inchi： 1S/C13H18O3/c1-2-3-4-5-6-13(16)10-7-11(14)9-12(15)8-10/h7-9,14-15H,2-6H2,1H3
    • InChI Key： YAMFGBCNXUCDEQ-UHFFFAOYSA-N
    • SMILES： C(C1=CC(O)=CC(O)=C1)(=O)CCCCCC

Computed Properties

  • Exact Mass: 222.12564

Experimental Properties

  • Density: 1.109±0.06 g/cm3(Predicted)
  • Melting Point: 94 °C
  • Boiling Point: 373.1±12.0 °C(Predicted)
  • PSA: 57.53
  • pka: 8?+-.0.10(Predicted)

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