| Formula |
C21H15N3O4 |
| IUPAC Name |
4-[(3e,5e)-3,5-bis(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid |
| Molecular Mass |
373.362 g·mol−1 |
| Heat of Formation |
-105.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.11 ± 1.08 D |
| Volume |
415.2 Å 3 |
| Surface Area |
365.35 Å 2 |
| HOMO Energy |
-8.69 ± 0.55 eV |
| LUMO Energy |
-1.75 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[(3e,5e)-3,5-bis(6-keto-1-cyclohexa-2,4-dienylidene)-1,2,4-triazolidin-1-yl]benzoic acid
- cgp-72670
- icl-670
- icl-670a
|
| InChIKey |
FMSOAWSKCWYLBB-MXWIWYRXSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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