Formula |
C12H9N3O5 |
IUPAC Name |
(5-carbamoyl-1h-imidazol-4-yl) 1,3-benzodioxole-5-carboxylate |
Molecular Mass |
275.217 g·mol−1 |
Heat of Formation |
-498.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.95 ± 1.08 D |
Volume |
287.34 Å 3 |
Surface Area |
270.81 Å 2 |
HOMO Energy |
-9.46 ± 0.55 eV |
LUMO Energy |
-1.41 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (5-aminocarbonyl-1h-imidazol-4-yl) 1,3-benzodioxole-5-carboxylate
- 1,3-benzodioxole-5-carboxylic acid (5-carbamoyl-1h-imidazol-4-yl) ester
- 1,3-benzodioxole-5-carboxylic acid, 5-(aminocarbonyl)-1h-imidazol-4-yl ester
- 5-carbamoyl-1h-imidazol-4-yl-piperonylate
- sl 1250
- sl-1250
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CAS Number(s) |
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InChIKey |
DUVZIPJBSDUYLN-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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