Cas no 139197-65-2 (1(2H)-Azulenone, 3,4,5,8-tetrahydro-5,8-dihydroxy-)

1(2H)-Azulenone, 3,4,5,8-tetrahydro-5,8-dihydroxy- structure
139197-65-2 structure
Product Name:1(2H)-Azulenone, 3,4,5,8-tetrahydro-5,8-dihydroxy-
CAS No:139197-65-2
MF:C10H12O3
MW:180.200483322144
CID:1263605
Update Time:2024-08-04

1(2H)-Azulenone, 3,4,5,8-tetrahydro-5,8-dihydroxy- Chemical and Physical Properties

Names and Identifiers

    • 1(2H)-Azulenone, 3,4,5,8-tetrahydro-5,8-dihydroxy-
    • Inchi: 1S/C10H12O3/c11-7-2-4-9(13)10-6(5-7)1-3-8(10)12/h2,4,7,9,11,13H,1,3,5H2
    • InChI Key: ZNSHTTCALKVHAE-UHFFFAOYSA-N
    • SMILES: C1(=O)C2=C(CC(O)C=CC2O)CC1

Computed Properties

  • Exact Mass: 180.07866

Experimental Properties

  • Density: 1.32±0.1 g/cm3(Predicted)
  • Boiling Point: 440.7±45.0 °C(Predicted)
  • PSA: 57.53
  • pka: 12.82±0.40(Predicted)
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