898766-73-9
Product Name:
2,2-DIMETHYL-4-OXO-4-(4-THIOMETHYLPHENYL)BUTRYIC ACID
Formula:
C13H16O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 252.33 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 252.08201554 g/mol |
| Monoisotopic Mass | 252.08201554 g/mol |
| Topological Polar Surface Area | 79.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 291 |
| 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 |