4. Computational chemical data
- Molecular Weight: 130.1484g/mol
- Molecular Formula: C11H13NO4
- Compound Is Canonicalized: True
- XLogP3-AA: _0.8
- Exact Mass: 130.08546096
- Monoisotopic Mass: 130.08546096
- Complexity: 136
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 84.7
- Heavy Atom Count: 9
- 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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