Cas no 66016-27-1 (3-tert-butylcyclobutane-1-carboxylic acid)

3-tert-butylcyclobutane-1-carboxylic acid structure
66016-27-1 structure
Product Name:3-tert-butylcyclobutane-1-carboxylic acid
CAS No:66016-27-1
MF:C9H16O2
MW:156.222143173218
MDL:MFCD01734238
CID:1695951
PubChem ID:47805
Update Time:2025-04-21

3-tert-butylcyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-tert-butylcyclobutanecarboxylic acid
    • 3-(1,1-Dimethylethyl)-cyclobutanecarboxylic acid
    • 3-tert-butylcyclobutane-1-carboxylic acid
    • 3-tert-Butyl-cyclobutanecarboxylic acid
    • EN300-152584
    • 66016-27-1
    • DTXSID10216231
    • SCHEMBL12384655
    • CYCLOBUTANECARBOXYLIC ACID, 3-tert-BUTYL-
    • SCHEMBL15925067
    • cis-3-tert-Butyl-cyclobutanecarboxylic acid
    • 3-tert-butylcyclobutane-1-carboxylicacid
    • F98183
    • AKOS011346385
    • 3-(tert-Butyl)cyclobutane-1-carboxylic acid
    • SCHEMBL12424332
    • trans-3-tert-Butyl-cyclobutanecarboxylic acid
    • MDL: MFCD01734238
    • Inchi: 1S/C9H16O2/c1-9(2,3)7-4-6(5-7)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)
    • InChI Key: RWZPVFOKYIJACO-UHFFFAOYSA-N
    • SMILES: OC(C1CC(C(C)(C)C)C1)=O

Computed Properties

  • Exact Mass: 156.11508
  • Monoisotopic Mass: 156.11503
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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
  • Topological Polar Surface Area: 37.3
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.045
  • Boiling Point: 242.9°C at 760 mmHg
  • Flash Point: 116°C
  • Refractive Index: 1.483
  • PSA: 37.3
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-tert-butylcyclobutane-1-carboxylic acid Security Information

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