Geijerin
7-methoxy-6-(3-methylbutanoyl)chromen-2-one
Also Known As: GEIJERIN|6-Isovalerylherniarin|6-Isovaleryl-7-methoxycoumarin|6-Isovaleryl-7-methoxy-cumarin|6-(3-methyl-1-oxobutyl)-7-methoxycoumarin|6-isovaleryl-7-methoxy-coumarin|7-Methoxy-6-(3-methylbutanoyl)-2H-chromen-2-one|7-methoxy-6-(3-methylbutanoyl)chromen-2-one|NCI60_003318|7-methoxy-6-(3-methyl-butanoyl)-chromen-2-one|7-Methoxy-6-(3-methylbutanoyl)-2H-chromen-2-one #|7-Methoxy-6-(3-methylbutanoyl)-2H-1-benzopyran-2-one|Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-|7-Methoxy-6-(3-methyl-1-oxobutyl)-2H-1-benzopyran-2-one
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10486 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.10486 |
| Monoisotopic Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 450-16-8 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC |
| InChIKey | ZXVIZFSHTAUXCC-UHFFFAOYSA-N |
Product Overview
Geijerin (CAS 450-16-8), with molecular formula C15H16O4 and molecular weight 260.10486 g/mol. IUPAC: 7-methoxy-6-(3-methylbutanoyl)chromen-2-one.
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