| Formula |
C11H10N2O3 |
| IUPAC Name |
4-(3-methyl-5-oxo-4h-pyrazol-1-yl)benzoic acid |
| Molecular Mass |
218.209 g·mol−1 |
| Heat of Formation |
-311.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.52 ± 1.08 D |
| Volume |
245.37 Å 3 |
| Surface Area |
238.71 Å 2 |
| HOMO Energy |
-9.06 ± 0.55 eV |
| LUMO Energy |
-0.75 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
- 4-(3-methyl-5-oxo-4h-pyrazol-1-yl)benzoic acid
- 4-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)benzoic acid
- 4-(5-keto-3-methyl-4h-pyrazol-1-yl)benzoic acid
- benzoic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)-
- oprea1_867127
- p-(3-methyl-5-oxo-2-pyrazolin-1-yl)-benzoic acid
- p-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
|
| InChIKey |
CUGBBQWDGCXWNB-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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