Cas no 93888-59-6 (9-Oxo-2,7-bisaboladien-15-oic acid)

9-Oxo-2,7-bisaboladien-15-oic acid structure
93888-59-6 structure
Product Name:9-Oxo-2,7-bisaboladien-15-oic acid
CAS No:93888-59-6
MF:C15H22O3
MW:250.333384990692
CID:836695
PubChem ID:91885239
Update Time:2025-09-22

9-Oxo-2,7-bisaboladien-15-oic acid Chemical and Physical Properties

Names and Identifiers

    • 9-Oxo-2,7-bisaboladien-15-oic acid
    • 9-Oxo-2,7-bisaboladien-15-oic ac
    • (4R)-4-[(2E)-6-Methyl-4-oxo-2-hepten-2-yl]-1-cyclohexene-1-carbox ylic acid
    • [R-(E)]-4-(1,5-Dimethyl-3-oxo-1-hexenyl)-1-cyclohexene-1-carboxylic acid
    • 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-1-hexenyl)-, [R-(E)]-
    • (4R)-4-[(E)-6-methyl-4-oxohept-2-en-2-yl]cyclohexene-1-carboxylic acid
    • AKOS040761300
    • FS-9178
    • 9-Oxo-2,7-bisaboladien-15-oicacid
    • 93888-59-6
    • [ "" ]
    • Inchi: 1S/C15H22O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,18)/b11-9+/t12-/m0/s1
    • InChI Key: IVWKCWHRLFIGCR-ZKQHCESOSA-N
    • SMILES: C(/[C@H]1CC=C(C(=O)O)CC1)(\C)=C\C(=O)CC(C)C

Computed Properties

  • Exact Mass: 250.15700
  • Monoisotopic Mass: 250.15689456g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 389
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 408.0±45.0 °C at 760 mmHg
  • Flash Point: 214.7±25.2 °C
  • PSA: 54.37000
  • LogP: 3.35900
  • Vapor Pressure: 0.0±2.0 mmHg at 25°C

9-Oxo-2,7-bisaboladien-15-oic acid Security Information

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