3-(1,3-Benzodioxol-5-Yl)-1-Methyl-1H-Pyrazole-5-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C12H10N2O4 |
| IUPAC Name | 5-(1,3-benzodioxol-5-yl)-2-methyl-4h-pyrazol-2-ium-4-ide-3-carboxylic acid |
| Molecular Mass | 246.219 g·mol−1 |
| Heat of Formation | -329.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.59 ± 1.08 D |
| Volume | 265.83 Å 3 |
| Surface Area | 255.12 Å 2 |
| HOMO Energy | -8.67 ± 0.55 eV |
| LUMO Energy | 2.42 ± eV |
| Point Group Symmetry | Cs |
| InChIKey | OFBLUTIPOCAQPA-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |