Molecules
Compare molecules
Compare two to four records by formula, structure, functional groups, descriptors, source-backed properties, and spectroscopy availability.
| Feature | theobromine | Acetone |
|---|---|---|
| Formuladiffers | C7H8N4O2 | C3H6O |
| Molar massdiffers | 180.16 g·mol−1 | 58.08 g·mol−1 |
| Exact massdiffers | 180.06472551 | 58.041864811 |
| DBEdiffers | 6 | 1 |
| H-bond donorsdiffers | 1 | 0 |
| H-bond acceptorsdiffers | 3 | 1 |
| TPSAdiffers | 67.2 | 17.1 |
| logPdiffers | -0.8 (PubChem computed XLogP3-AA descriptor) | -0.1 (PubChem computed XLogP3-AA descriptor) |
| Melting point | Not available | Not available |
| Boiling pointdiffers | Not available | 56.05 deg C (1 atm) |
| Densitydiffers | Not available | 0.7845 g/mL (25 deg C) |
| Functional groupsdiffers | Amide, Amine, Aromatic ring, Phenol | Ketone |
| Available spectra | simulated IR | simulated IR |