1,2-Pentadien-1-ol, 3-methyl-, 4-nitrobenzoate
3-methylpenta-1,2-dienyl 4-nitrobenzoate
Also Known As: 3-Methyl-1,2-pentadienyl 4-nitrobenzoate|3-methylpenta-1,2-dienyl 4-nitrobenzoate|3-Methyl-1,2-pentadien-1-ol4-nitrobenzoate|3-Methyl-1,2-pentadienyl 4-nitrobenzoate #|1,2-Pentadien-1-ol, 3-methyl-, 4-nitrobenzoate|3-methylpenta-1,2-dien-1-yl 4-nitrobenzoate|3-Methyl-1,2-pentadien-1-ol 4-nitrobenzoate
CAS: 56009-22-4
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08446 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Monoisotopic Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 56009-22-4 |
|---|---|
| SMILES | CCC(=C=COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C |
| InChIKey | VDKMMAMJIJZVFY-UHFFFAOYSA-N |
Product Overview
1,2-Pentadien-1-ol, 3-methyl-, 4-nitrobenzoate (CAS 56009-22-4), with molecular formula C13H13NO4 and molecular weight 247.08446 g/mol. IUPAC: 3-methylpenta-1,2-dienyl 4-nitrobenzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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1,2-Pentadien-1-ol, 3-methyl-, 4-nitrobenzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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