4-(1,3-Benzodioxol-5-Yl)-3-(5-Ethyl-2,4-Dihydroxyphenyl)-1H-Pyrazole-5-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C19H16N2O6 |
IUPAC Name | 4-(1,3-benzodioxol-5-yl)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1h-pyrazole-5-carboxylic acid |
Molecular Mass | 368.340 g·mol−1 |
Heat of Formation | -691.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.00 ± 1.08 D |
Volume | 402.51 Å 3 |
Surface Area | 337.54 Å 2 |
HOMO Energy | -8.70 ± 0.55 eV |
LUMO Energy | 2.06 ± eV |
Point Group Symmetry | C1 |
InChIKey | LCTWZJKHOGKNMX-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |