63149-24-6
Product Name:
1,1,2-TRIMETHYL-3-(4-SULFOBUTYL)-1H-BENZ[E]INDOLIUM HYDROXIDE, INNER SALT
Formula:
C19H23NO3S
Synonyms:
1-(4-Sulfobutyl)-2,3,3-trimethyl-4,5-benzindolium, inner salt;1,1,2-Trimethyl-3-(4-sulfobutyl)-1H-benz[e]indolium hydroxide, inner salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 345.5 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 345.13986477 g/mol |
| Monoisotopic Mass | 345.13986477 g/mol |
| Topological Polar Surface Area | 68.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 589 |
| 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 |