Vanilol
methyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzoate
| Molecular Formula | C15H23NO5 |
|---|---|
| Molecular Weight | 297.35 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 77.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 297.15762 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 78100-57-9 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(C=C(C=C1)C(=O)OC)OC)O |
| InChIKey | MKDCAESMSRQHIN-UHFFFAOYSA-N |
📖 Product Overview
Vanilol (CAS: 78100-57-9) is a chemical compound with molecular formula C15H23NO5 and molecular weight 297.35 g/mol. Its IUPAC systematic name is methyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzoate.
MKDCAESMSRQHIN-UHFFFAOYSA-N.
SMILES: CC(C)NCC(COC1=C(C=C(C=C1)C(=O)OC)OC)O.
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