516480-40-3
Product Name:
Benzoic acid, 4-[(2-methylpropyl)amino]-, methyl ester (9CI)
Formula:
C12H17NO2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1836 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 207.27 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 207.125928785 g/mol |
| Monoisotopic Mass | 207.125928785 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 196 |
| 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 |