6138-41-6
Product Name:
Trigonelline hydrochloride
Formula:
C7H8ClNO2
Synonyms:
1-Methylpyridinium-3-carboxylate hydrochloride;N-Methylnicotinic acid betaine hydrochloride;Trigonelline hydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 173.60 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 173.0243562 g/mol |
| Monoisotopic Mass | 173.0243562 g/mol |
| Topological Polar Surface Area | 41.2 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 136 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |