Cas no 1892656-75-5 (1-(4-Hydroxyphenyl)-3-oxocyclobutane-1-carboxylic acid)

1-(4-Hydroxyphenyl)-3-oxocyclobutane-1-carboxylic acid structure
1892656-75-5 structure
Product Name:1-(4-Hydroxyphenyl)-3-oxocyclobutane-1-carboxylic acid
CAS No:1892656-75-5
MF:C11H10O4
MW:206.194703578949
CID:5789797
PubChem ID:115024440
Update Time:2023-12-26

1-(4-Hydroxyphenyl)-3-oxocyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(4-hydroxyphenyl)-3-oxocyclobutane-1-carboxylic acid
    • EN300-1764464
    • 1892656-75-5
    • Cyclobutanecarboxylic acid, 1-(4-hydroxyphenyl)-3-oxo-
    • 1-(4-Hydroxyphenyl)-3-oxocyclobutane-1-carboxylic acid
    • Inchi: 1S/C11H10O4/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,12H,5-6H2,(H,14,15)
    • InChI Key: PFRSKOSZSVHAHJ-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(=O)O)(C2C=CC(=CC=2)O)C1

Computed Properties

  • Exact Mass: 206.05790880g/mol
  • Monoisotopic Mass: 206.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 281
  • 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: 0.3
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.464±0.06 g/cm3(Predicted)
  • Boiling Point: 459.2±45.0 °C(Predicted)
  • pka: 3.62±0.20(Predicted)

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