10477-99-3
Product Name:
Benzoic acid, 3,5-dinitro-, 1-Methylethyl ester
Formula:
C10H10N2O6
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1783 1788 1800 1785.4 1785 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 254.20 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 254.05388604 g/mol |
| Monoisotopic Mass | 254.05388604 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 323 |
| 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 |