Cas no 59553-50-3 (2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo-)

2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo- structure
59553-50-3 structure
Product Name:2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo-
CAS No:59553-50-3
MF:C15H24O3
MW:252.349265098572
CID:386473
PubChem ID:315417
Update Time:2025-04-19

2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo- Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthaleneaceticacid, decahydro-a,4a,8-trimethyl-7-oxo-
    • 2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid
    • 2-(4a,8-Dimethyl-7-oxodecahydro-2-naphthalenyl)propanoic acid
    • AC1L7RO3
    • NSC240611
    • 2-(4a,8-Dimethyl-7-oxodecahydro-2-naphthalenyl)propanoic acid #
    • DTXSID90311238
    • 2-Naphthaleneacetic acid, decahydro-.alpha.,4a,8-trimethyl-7-oxo-, [2R-[2.alpha.(S*),4a.alpha.,8.alpha.,8a.alpha.]]-
    • 59553-50-3
    • WXRFPOURRUGJGZ-UHFFFAOYSA-N
    • NSC-240611
    • Inchi: 1S/C15H24O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h9-12H,4-8H2,1-3H3,(H,17,18)
    • InChI Key: WXRFPOURRUGJGZ-UHFFFAOYSA-N
    • SMILES: O=C1CCC2(C)CCC(C(C(=O)O)C)CC2C1C

Computed Properties

  • Exact Mass: 252.17262
  • Monoisotopic Mass: 252.17254462g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 363
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • PSA: 54.37
  • LogP: 3.12870
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