Caffeine citrate
2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
| Molecular Formula | C14H18N4O9 |
|---|---|
| Molecular Weight | 386.31 g/mol |
| Topological Polar Surface Area | 191.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1074 |
| Heavy Atoms | 27 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 69-22-7 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | RCQXSQPPHJPGOF-UHFFFAOYSA-N |
📖 Product Overview
Caffeine citrate (CAS: 69-22-7) is a chemical compound with molecular formula C14H18N4O9 and molecular weight 386.31 g/mol. Its IUPAC systematic name is 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione.
RCQXSQPPHJPGOF-UHFFFAOYSA-N.
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.
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