2,4,6-Trinitrophenol | SBID = 594 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 158.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 7.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 151.7 | ||
| Sum Formula: | C6H3N3O7 | ||
| M / g/mol: | 229.1 | ||
| Complexity: | 292.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: 2,4,6-Trinitrophenol
- Preferred Abbreviation: Picric acid
- IUPAC Name: 2,4,6-trinitrophenol
- CAS: 88-89-1
- CID: 6954
- InChiKey: OXNIZHLAWKMVMX-UHFFFAOYSA-N
- InChi: InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
- CanoSmiles: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
- IsoSmiles: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
