88-48-2
Product Name:
Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester
Formula:
C12H22O7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 310.37 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 310.10862421 g/mol |
| Monoisotopic Mass | 310.10862421 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 420 |
| 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 |