Cas no 34167-05-0 (1,4-Methano-1H-indene-1-aceticacid, octahydro-a,3a,5-trimethyl-6,8-dioxo-, (aR,1R,3aS,4R,5S,7aS)-)

1,4-Methano-1H-indene-1-aceticacid, octahydro-a,3a,5-trimethyl-6,8-dioxo-, (aR,1R,3aS,4R,5S,7aS)- structure
34167-05-0 structure
Product Name:1,4-Methano-1H-indene-1-aceticacid, octahydro-a,3a,5-trimethyl-6,8-dioxo-, (aR,1R,3aS,4R,5S,7aS)-
CAS No:34167-05-0
MF:C15H20O4
MW:264.316905021667
CID:322909
PubChem ID:283654
Update Time:2025-04-19

1,4-Methano-1H-indene-1-aceticacid, octahydro-a,3a,5-trimethyl-6,8-dioxo-, (aR,1R,3aS,4R,5S,7aS)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Methano-1H-indene-1-aceticacid, octahydro-a,3a,5-trimethyl-6,8-dioxo-, (aR,1R,3aS,4R,5S,7aS)-
    • (1R,7aβ,αR)-Octahydro-α,3aβ,5α-trimethyl-6,8-dioxo-1α,4α-methano-1H-indene-1-acetic acid
    • Santonic acid
    • (S)-2-((3aR)-4.7-Dioxo-1c.6c-dimethyl-(8acH)-octahydro-3H-1t.5t-cyclo-azulenyl-(3ar))-propionsaeure
    • Metasantonic acid
    • Nsc138624
    • Santonsaeure
    • DTXCID1026871
    • NCGC00181141-01
    • 34167-05-0
    • 1,4-Methano-1H-indene-1-acetic acid, octahydro-.alpha.,3a,5-trimethyl-6,8-dioxo-, [1R-[1.alpha.,1(S*),3a.beta.,4.alpha.,5.alpha.,7a.beta.]]-
    • SMR001798045
    • 2-(1,5-dimethyl-4,7-dioxo-8-tricyclo[4.4.0.02,8]decanyl)propanoic acid
    • CAS-510-35-0
    • DTXSID3046871
    • NSC-138624
    • SCHEMBL2547369
    • 510-35-0
    • Q7420590
    • NSC138622
    • Tox21_112747
    • 1, octahydro-.alpha.,3a,5-trimethyl-6,8-dioxo-, [1R-[1.alpha.,1(S*),3a.beta.,4.alpha.,5.alpha.,7a.beta.]]-
    • 1, hexahydro-.alpha.,3a,5-trimethyl-6,8-dioxo-
    • 1,4-Methano-1H-indene-1-acetic acid, octahydro-.alpha.,3a,5-trimethyl-6,8-dioxo-, [1R-[1.alpha.,1(S*),} 3a.beta.,4.alpha.,5.alpha.,7a.beta.]]-
    • NSC-138622
    • MLS002920454
    • 2-[dimethyl(dioxo)[?]yl]propanoic acid
    • 1,4-Methanoindan-1-acetic acid, hexahydro-.alpha.,3a,5-trimethyl-6,8-dioxo-
    • CHEMBL1992757
    • Inchi： 1S/C15H20O4/c1-7-9(16)6-10-14(3)4-5-15(10,8(2)13(18)19)12(17)11(7)14/h7-8,10-11H,4-6H2,1-3H3,(H,18,19)
    • InChI Key： UNPYYTKZOHYHMZ-UHFFFAOYSA-N
    • SMILES： O=C1C2C(C)C(CC3C1(C(C(=O)O)C)CCC32C)=O

Computed Properties

  • Exact Mass: 264.13600
  • Monoisotopic Mass: 264.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 496
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 71.4A^2

Experimental Properties

  • Density: 1.266
  • Boiling Point: 434.3°Cat760mmHg
  • Flash Point: 230.6°C
  • Refractive Index: 1.556
  • PSA: 71.44000
  • LogP: 1.91760

1,4-Methano-1H-indene-1-aceticacid, octahydro-a,3a,5-trimethyl-6,8-dioxo-, (aR,1R,3aS,4R,5S,7aS)- Related Literature

Related Categories

34167-05-0 (1,4-Methano-1H-indene-1-aceticacid, octahydro-a,3a,5-trimethyl-6,8-dioxo-, (aR,1R,3aS,4R,5S,7aS)-) Related Products

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