2138181-69-6
Product Name:
2H-Azepine-4-carboxylic acid, 3,4,5,6-tetrahydro-7-methoxy-, methyl ester
Formula:
C9H15NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 185.22 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 185.10519334 g/mol |
| Monoisotopic Mass | 185.10519334 g/mol |
| Topological Polar Surface Area | 47.9 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 213 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |