Coumarin 7 | SBID = 1156 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 58.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 262.2 | ||
| Sum Formula: | C20H19N3O2 | ||
| M / g/mol: | 333.4 | ||
| Complexity: | 531.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: typical guest, dye
- Name: Coumarin 7
- Preferred Abbreviation: Coumarin 7
- IUPAC Name: 3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one
- CAS: 27425-55-4
- CID: 94381
- InChiKey: GOLORTLGFDVFDW-UHFFFAOYSA-N
- InChi: InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
- CanoSmiles: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3
- IsoSmiles: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3
