Cas no 89646-08-2 (2-Phenanthrenecarboxylic acid, 1,2,3,4,5,6,7,8-octahydro-1-methyl-)

2-Phenanthrenecarboxylic acid, 1,2,3,4,5,6,7,8-octahydro-1-methyl- structure
89646-08-2 structure
Product Name:2-Phenanthrenecarboxylic acid, 1,2,3,4,5,6,7,8-octahydro-1-methyl-
CAS No:89646-08-2
MF:C16H20O2
MW:244.328804969788
CID:593633
PubChem ID:13330735
Update Time:2025-04-19

2-Phenanthrenecarboxylic acid, 1,2,3,4,5,6,7,8-octahydro-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Phenanthrenecarboxylic acid, 1,2,3,4,5,6,7,8-octahydro-1-methyl-
    • 1-methyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid
    • DTXSID80537081
    • 89646-08-2
    • Inchi: 1S/C16H20O2/c1-10-12-7-6-11-4-2-3-5-14(11)15(12)9-8-13(10)16(17)18/h6-7,10,13H,2-5,8-9H2,1H3,(H,17,18)
    • InChI Key: XYDKHJJGDXUCAM-UHFFFAOYSA-N
    • SMILES: OC(C1CCC2C3CCCCC=3C=CC=2C1C)=O

Computed Properties

  • Exact Mass: 244.146329876g/mol
  • Monoisotopic Mass: 244.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 325
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 37.3?2
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