Physodic acid
3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
| Molecular Formula | C26H30O8 |
|---|---|
| Molecular Weight | 470.5 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 130.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 470.19406 |
| Heavy Atoms | 34 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 84-24-2 |
|---|---|
| SMILES | CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O |
| InChIKey | KVTYWHGIZSCFLG-UHFFFAOYSA-N |
📖 Product Overview
Physodic acid (CAS: 84-24-2) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.5 g/mol. Its IUPAC systematic name is 3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid.
KVTYWHGIZSCFLG-UHFFFAOYSA-N.
SMILES: CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O.
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