| Formula |
C11H9NO3 |
| IUPAC Name |
5-methyl-3-phenyl-isoxazole-4-carboxylic acid |
| Molecular Mass |
203.194 g·mol−1 |
| Heat of Formation |
-221.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
0.99 ± 1.08 D |
| Volume |
230.08 Å 3 |
| Surface Area |
219.39 Å 2 |
| HOMO Energy |
-9.77 ± 0.55 eV |
| LUMO Energy |
2.40 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-phenyl-5-methylisoxazol-4-carbonsaeure
- 3-phenyl-5-methylisoxazole-4-carboxylic acid
- 4-isoxazolecarboxylic acid, 5-methyl-3-phenyl-
- 5-methyl-3-phenyl-4-isoxazolecarboxylic acid
- 5-methyl-3-phenylisoxazole-4-carboxylic acid
- aq-360/40723605
- bas 00532226
- cbdive_008536
- isoxazole-4-carboxylic acid, 5-methyl-3-phenyl-
- sdccgmls-0065903.p001
|
| CAS Number(s) |
|
| InChIKey |
PENHKTNQUJMHIR-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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