60254-95-7
Product Name:
5-hydroxymebendazole
Formula:
C16H15N3O3
Synonyms:
Methyl 5-[(RS)-α-hydroxybenzyl]-1H-benzimidazole-2-carbamate
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CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 175.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 297.31 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 297.11134135 g/mol |
| Monoisotopic Mass | 297.11134135 g/mol |
| Topological Polar Surface Area | 87.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 387 |
| 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 |