7-Methoxycoumarin | SBID = 193 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 35.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.9 | ||
| 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): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 137.1 | ||
| Sum Formula: | C10H8O3 | ||
| M / g/mol: | 176.171 | ||
| Complexity: | 234.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 7-Methoxycoumarin
- Preferred Abbreviation: 7-Methoxycoumarin
- IUPAC Name: 7-methoxychromen-2-one
- CAS: 531-59-9
- CID: 10748
- InChiKey: LIIALPBMIOVAHH-UHFFFAOYSA-N
- InChi: InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
- CanoSmiles: COC1=CC2=C(C=C1)C=CC(=O)O2
- IsoSmiles: COC1=CC2=C(C=C1)C=CC(=O)O2
