4-Nitrobenzoic acid, 3-methylbut-2-enyl ester
3-methylbut-2-enyl 4-nitrobenzoate
Also Known As: 3-methylbut-2-enyl 4-nitrobenzoate|3-methylbut-2-en-1-yl 4-nitrobenzoate|4-Nitrobenzoic acid, 3-methylbut-2-enyl ester|4-Nitrobenzoic acid 3-methyl-2-butenyl ester|J1.280.275G|3-METHYL-2-PROPEN-1-YL 4-NITROBENZOATE
CAS: 35945-68-7
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08446 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Monoisotopic Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 35945-68-7 |
|---|---|
| SMILES | CC(=CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C |
| InChIKey | MBCPNFHFYXLONQ-UHFFFAOYSA-N |
Product Overview
4-Nitrobenzoic acid, 3-methylbut-2-enyl ester (CAS 35945-68-7), with molecular formula C12H13NO4 and molecular weight 235.08446 g/mol. IUPAC: 3-methylbut-2-enyl 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, 3-methylbut-2-enyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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