62351-53-5
Product Name:
Benzoic acid, 2-(methylthio)-, anhydride with 2-(methylthio)benzoic acid
Formula:
C16H14O3S2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2818 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 318.4 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 318.03843665 g/mol |
| Monoisotopic Mass | 318.03843665 g/mol |
| Topological Polar Surface Area | 94 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 339 |
| 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 |