4-Hydroxy-7-methoxycoumarin | SBID = 227 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 55.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| 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: | 144.7 | ||
| Sum Formula: | C10H8O4 | ||
| M / g/mol: | 192.17 | ||
| Complexity: | 271.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: 4-Hydroxy-7-methoxycoumarin
- Preferred Abbreviation: 4-Hydroxy-7-methoxycoumarin
- IUPAC Name: 4-hydroxy-7-methoxychromen-2-one
- CAS: 17575-15-4
- CID: 54691408
- InChiKey: MJBHLQMPKBMZSF-UHFFFAOYSA-N
- InChi: InChI=1S/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
- CanoSmiles: COC1=CC2=C(C=C1)C(=CC(=O)O2)O
- IsoSmiles: COC1=CC2=C(C=C1)C(=CC(=O)O2)O
