CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [ECHA REACH Registrations] |
|---|---|
| Chemical Classes | Other Classes -> Benzoic Acid Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 181.19 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 181.085126602 g/mol |
| Monoisotopic Mass | 181.085126602 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 130 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |