Coumarin 30 neutral | SBID = 1181 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C21H21N3O2 | ||
| M / g/mol: | 347.41034 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, typical guest, dye
- Name: Coumarin 30 neutral
- Preferred Abbreviation: Coumarin-30-neutral
- IUPAC Name:
- CAS: 41044-12-6
- CID: -379
- InChiKey: KZFUMWVJJNDGAU-UHFFFAOYSA-N
- InChi: InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
- CanoSmiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC
- IsoSmiles: O=C2C(C4=NC3=CC=CC=C3N4C)=CC1=C(O2)C=C(N(CC)CC)C=C1
