Cas no 928063-59-6 (2-(4-hydroxy-4-methylcyclohexyl)acetic acid)

2-(4-hydroxy-4-methylcyclohexyl)acetic acid structure
928063-59-6 structure
Product Name:2-(4-hydroxy-4-methylcyclohexyl)acetic acid
CAS No:928063-59-6
MF:C9H16O3
MW:172.221543312073
MDL:MFCD13659406
CID:833671
PubChem ID:51051673
Update Time:2025-04-19

2-(4-hydroxy-4-methylcyclohexyl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Hydroxy-4-methylcyclohexyl)acetic acid
    • 2-(4-hydroxy-4-methylcyclohexyl)acetic acid
    • (4-Hydroxy-4-methyl-cyclohexyl)-acetic acid
    • SCHEMBL16841434
    • PTSYOPJNBMGCPE-UHFFFAOYSA-N
    • FT-0660292
    • 928063-59-6
    • EN300-703946
    • SCHEMBL337471
    • 909567-36-8
    • DTXSID00679639
    • starbld0033623
    • trans-4-Hydroxy-4-methylcyclohexaneacetic acid
    • SCHEMBL16841487
    • DTXSID701247882
    • MDL: MFCD13659406
    • Inchi: 1S/C9H16O3/c1-9(12)4-2-7(3-5-9)6-8(10)11/h7,12H,2-6H2,1H3,(H,10,11)
    • InChI Key: PTSYOPJNBMGCPE-UHFFFAOYSA-N
    • SMILES: OC1(C)CCC(CC(=O)O)CC1

Computed Properties

  • Exact Mass: 172.11000
  • Monoisotopic Mass: 172.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53000
  • LogP: 1.40230

2-(4-hydroxy-4-methylcyclohexyl)acetic acid Pricemore >>

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