4-Nitrobenzoic acid, but-3-yn-2-yl ester
but-3-yn-2-yl 4-nitrobenzoate
Also Known As: but-3-yn-2-yl 4-nitrobenzoate|4-Nitrobenzoic acid, but-3-yn-2-yl ester|3-Butyn-2-ol, 2-(4-nitrobenzoate)|J2.319.450C|4-Nitrobenzoic acid 1-methyl-2-propynyl ester
CAS: 99972-67-5
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05316 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.05316 |
| Monoisotopic Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 99972-67-5 |
|---|---|
| SMILES | CC(C#C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | PLOONFHELCAORZ-UHFFFAOYSA-N |
Product Overview
4-Nitrobenzoic acid, but-3-yn-2-yl ester (CAS 99972-67-5), with molecular formula C11H9NO4 and molecular weight 219.05316 g/mol. IUPAC: but-3-yn-2-yl 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.
View MSDS →
4-Nitrobenzoic acid, but-3-yn-2-yl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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