87242-91-9
Product Name:
BETA-(4-METHYL-BENZYLSULFANYL)-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONIC ACID
Formula:
C16H22O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 278.4 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 278.13405111 g/mol |
| Monoisotopic Mass | 278.13405111 g/mol |
| Topological Polar Surface Area | 62.6 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 289 |
| 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 |