7-(diethylamino)-2-oxochromene-3-carbaldehyde | SBID = 2337 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 46.6 | ||
| Ertl TPSA/Å2: | 50.52 | ||
| Hydrophilicity (PubChem XLogP): | 2.4 | ||
| Hydrophilicity (Cheng XLogP3): | 0.96 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| 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: | 194.6 | ||
| Sum Formula: | C14H15NO3 | ||
| M / g/mol: | 245.27 | ||
| Complexity: | 360.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: probe, amines
- Name: 7-(diethylamino)-2-oxochromene-3-carbaldehyde
- Preferred Abbreviation: NEt2coumarinCHO
- IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carbaldehyde
- CAS:
- CID: 143191
- InChiKey: HWQSZPUCHJKWLS-UHFFFAOYSA-N
- InChi: InChI=1S/C14H15NO3/c1-3-15(4-2)12-6-5-10-7-11(9-16)14(17)18-13(10)8-12/h5-9H,3-4H2,1-2H3
- CanoSmiles: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C=O
- IsoSmiles: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C=O
