4. Computational chemical data
- Molecular Weight:197.035g/mol
- Molecular Formula:C12H19NO2
- Compound Is Canonicalized:True
- XLogP3-AA:2.2
- Exact Mass:195.96361
- Monoisotopic Mass:195.96361
- Complexity:129
- Rotatable Bond Count:0
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:1
- Topological Polar Surface Area:28.7
- Heavy Atom Count:10
- Defined Atom Stereocenter Count:0
- Undefined Atom Stereocenter Count:0
- Defined Bond Stereocenter Count:0
- Undefined Bond Stereocenter Count:0
- Isotope Atom Count:0
- Covalently-Bonded Unit Count:1
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