ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate | SBID = 225 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C19H18O7 | ||
| M / g/mol: | 358.35 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: ethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate
- Preferred Abbreviation: hethyl 5-(6-ethyl-4-Hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate
- IUPAC Name: ethyl 5-(6-ethyl-4-hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)furan-2-carboxylate
- CAS:
- CID: -15
- InChiKey: PRJMXDUROWQFSX-UHFFFAOYSA-N
- InChi: InChI=1S/C19H18O7/c1-4-10-8-11-15(9-14(10)23-3)26-19(22)16(17(11)20)12-6-7-13(25-12)18(21)24-5-2/h6-9,20H,4-5H2,1-3H3
- CanoSmiles: COC1=C(CC)C=C2C(OC(C(C3=CC=C(C(OCC)=O)O3)=C2O)=O)=C1
- IsoSmiles: O=C(C1=CC=C(C(C2=O)=C(O)C3=C(O2)C=C(OC)C(CC)=C3)O1)OCC
