| Formula |
C12H8N4O2 |
| IUPAC Name |
1-phenylpyrazolo[3,4-d]pyrimidin-1-ium-2-ide-4-carboxylic acid |
| Molecular Mass |
240.218 g·mol−1 |
| Heat of Formation |
144.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.55 ± 1.08 D |
| Volume |
261.08 Å 3 |
| Surface Area |
248.17 Å 2 |
| HOMO Energy |
-9.32 ± 0.55 eV |
| LUMO Energy |
-1.64 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-phenyl-1h-pyrazolo(3,4d)pyrimidine-4-carboxylic acid
- 1-phenyl-4-pyrazolo[4,5-e]pyrimidinecarboxylic acid
- 1h-pyrazolo(3,4-d)pyrimidine-4-carboxylic acid, 1-phenyl-
|
| CAS Number(s) |
|
| InChIKey |
NVEULXKUFWCQEU-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
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