Cas no 5353-62-8 (3-hydroxy-5-methyladamantane-1-carboxylic Acid)

3-hydroxy-5-methyladamantane-1-carboxylic Acid structure
5353-62-8 structure
Product Name:3-hydroxy-5-methyladamantane-1-carboxylic Acid
CAS No:5353-62-8
MF:C12H18O3
MW:210.269524097443
CID:1582813
PubChem ID:2843159
Update Time:2025-04-21

3-hydroxy-5-methyladamantane-1-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-hydroxy-5-methyladamantane-1-carboxylic Acid
    • CBMicro_020232
    • AC1MDUK3
    • AGN-PC-01NPDE
    • SureCN5608428
    • Oprea1_461941
    • CCG-7126
    • AKOS004122831
    • BIM-0020430.P001
    • 5-hydroxy-3-methyl-adamantane-1-carboxylic acid
    • CBMicro_020232; AC1MDUK3; AGN-PC-01NPDE; SureCN5608428; Oprea1_461941; CCG-7126; AKOS004122831; BIM-0020430.P001; 5-hydroxy-3-methyl-adamantane-1-carboxylic acid;
    • SR-01000206572
    • 5353-62-8
    • SR-01000206572-1
    • DTXSID20385740
    • 3-hydroxy-5-methyl-1-adamantanecarboxylic acid
    • SCHEMBL5608428
    • 3-Hydroxy-5-methyltricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
    • Inchi: 1S/C12H18O3/c1-10-2-8-3-11(5-10,9(13)14)7-12(15,4-8)6-10/h8,15H,2-7H2,1H3,(H,13,14)
    • InChI Key: LSSPUDFIBQOQLZ-UHFFFAOYSA-N
    • SMILES: OC12CC3CC(C(=O)O)(C1)CC(C)(C3)C2

Computed Properties

  • Exact Mass: 210.12564
  • Monoisotopic Mass: 210.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.374
  • Boiling Point: 350.1°C at 760 mmHg
  • Flash Point: 179.7°C
  • Refractive Index: 1.628
  • PSA: 57.53
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