34549-87-6
Product Name:
4-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
Formula:
C13H21NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 223.31 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 223.157228913 g/mol |
| Monoisotopic Mass | 223.157228913 g/mol |
| Topological Polar Surface Area | 42.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 230 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |