738607-02-8
Product Name:
Octanoic acid, 8-isocyano-2,2-dimethyl-8-[(4-methylphenyl)sulfonyl]-, ethyl ester
Formula:
C20H29NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 379.5 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 11 |
| Exact Mass | 379.18172958 g/mol |
| Monoisotopic Mass | 379.18172958 g/mol |
| Topological Polar Surface Area | 73.2 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 589 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |