103860-95-3
Product Name:
4-[2-CHLORO-4-(METHYLTHIO)PHENYL]-4-OXOBUTYRIC ACID
Formula:
C11H11ClO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 258.72 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 258.0117431 g/mol |
| Monoisotopic Mass | 258.0117431 g/mol |
| Topological Polar Surface Area | 79.7 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 270 |
| 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 |