CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Coarse white powder; [3M MSDS] |
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Chemical Classes | Other Classes -> Benzoic Acid Derivatives |
COMPUTED DESCRIPTORS
Molecular Weight | 242.23 g/mol |
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XLogP3 | 3.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Exact Mass | 242.05790880 g/mol |
Monoisotopic Mass | 242.05790880 g/mol |
Topological Polar Surface Area | 74.6 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 278 |
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 |