Orcein
8-(2,4-dihydroxy-6-methylanilino)-2-(2,4-dihydroxy-6-methylphenyl)imino-7-hydroxy-1,9-dimethyldibenzofuran-3-one
| Molecular Formula | C28H24N2O7 |
|---|---|
| Molecular Weight | 500.5 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 152.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 500.15836 |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 1400-62-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC2=C(C3=C(C=C2O)OC4=CC(=O)C(=NC5=C(C=C(C=C5C)O)O)C(=C43)C)C)O)O |
| InChIKey | QFIIYGZAUXVPSZ-UHFFFAOYSA-N |
📖 Product Overview
Orcein (CAS: 1400-62-0) is a chemical compound with molecular formula C28H24N2O7 and molecular weight 500.5 g/mol. Its IUPAC systematic name is 8-(2,4-dihydroxy-6-methylanilino)-2-(2,4-dihydroxy-6-methylphenyl)imino-7-hydroxy-1,9-dimethyldibenzofuran-3-one.
QFIIYGZAUXVPSZ-UHFFFAOYSA-N.
SMILES: CC1=CC(=CC(=C1NC2=C(C3=C(C=C2O)OC4=CC(=O)C(=NC5=C(C=C(C=C5C)O)O)C(=C43)C)C)O)O.
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