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1. 84650-00-0
2. Furan;1-methylpyridin-1-ium-3-carboxylate;pyridine-3-carboxylic Acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione
3. Coffee, Coffea Arabica, Ext.
Molecular Weight | 524.5 g/mol |
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Molecular Formula | C25H28N6O7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 1 |
Exact Mass | 524.20194725 g/mol |
Monoisotopic Mass | 524.20194725 g/mol |
Topological Polar Surface Area | 164 Ų |
Heavy Atom Count | 38 |
Formal Charge | 0 |
Complexity | 594 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently Bonded Unit Count | 4 |
API Imports and Exports
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