4310-80-9
Product Name:
METHYLTHYMOL BLUE, PENTASODIUM SALT, PURE, 96
Formula:
C37H45N2NaO13S
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COMPUTED DESCRIPTORS
| Molecular Weight | 866.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 12 |
| Exact Mass | 866.1661319 g/mol |
| Monoisotopic Mass | 866.1661319 g/mol |
| Topological Polar Surface Area | 270 Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1560 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 6 |
| Compound Is Canonicalized | Yes |