alpha-Resorcylic acid, butyl ester, hemihydrate
bis(butyl 3,5-dihydroxybenzoate);hydrate
| Molecular Formula | C22H30O9 |
|---|---|
| Molecular Weight | 438.5 g/mol |
| Topological Polar Surface Area | 135.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 438.189 |
| Heavy Atoms | 31 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 37622-59-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=CC(=C1)O)O.CCCCOC(=O)C1=CC(=CC(=C1)O)O.O |
| InChIKey | UIDWBEXUSVLIBV-UHFFFAOYSA-N |
📖 Product Overview
alpha-Resorcylic acid, butyl ester, hemihydrate (CAS: 37622-59-6) is a chemical compound with molecular formula C22H30O9 and molecular weight 438.5 g/mol. Its IUPAC systematic name is bis(butyl 3,5-dihydroxybenzoate);hydrate.
UIDWBEXUSVLIBV-UHFFFAOYSA-N.
SMILES: CCCCOC(=O)C1=CC(=CC(=C1)O)O.CCCCOC(=O)C1=CC(=CC(=C1)O)O.O.
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