cocaine
C17H21NO4
Cocaine has the molecular formula C17H21NO4 and a molar mass of 303.35 g/mol, a melting point of 98 °C and a boiling point of 187 °C.
Properties
| Molecular formula | C17H21NO4 |
|---|---|
| Molar mass | 303.35 g/mol |
| Exact (monoisotopic) mass | 303.14706 g/mol |
| Melting point | 98 °C |
| Boiling point | 187 °C |
| Density | 1.22 g/cm³ |
| logP (octanol–water) | 2.3 |
| Topological polar surface area | 55.8 Ų |
| Hydrogen-bond donors / acceptors | 0 / 5 |
| Heavy atoms | 22 |
| InChIKey | ZPUCINDJVBIVPJ-LJISPDSOSA-N |
| IUPAC name | methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
Elemental composition
43 atoms across 4 elements, by mass.
| Element | Atoms | Percent by mass |
|---|---|---|
| Carbon (C) | 17 | 67.31% |
| Oxygen (O) | 4 | 21.10% |
| Hydrogen (H) | 21 | 6.98% |
| Nitrogen (N) | 1 | 4.62% |
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Related compounds
Molar mass and elemental composition are computed from IUPAC 2021 conventional atomic weights. Formula, exact mass and the computed descriptors come from PubChem, which is US government work and in the public domain. Melting point, boiling point and density come from Wikidata under CC0. Properties with no figure shown are absent from those sources rather than zero.