Formula |
C7H7N3O3 |
IUPAC Name |
1-(2-hydroxyethyl)-5-nitro-pyrrole-2-carbonitrile |
Molecular Mass |
181.149 g·mol−1 |
Heat of Formation |
53.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.92 ± 1.08 D |
Volume |
205.13 Å 3 |
Surface Area |
196.32 Å 2 |
HOMO Energy |
-10.50 ± 0.55 eV |
LUMO Energy |
-1.67 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-(2-hydroxyethyl)-2-cyano-5-nitropyrrole
- 1-(2-hydroxyethyl)-5-nitro-2-pyrrolecarbonitrile
- 1-(2-hydroxyethyl)-5-nitro-pyrrole-2-carbonitrile
- 1-(2-hydroxyethyl)-5-nitropyrrole-2-carbonitrile
- 1h-pyrrole-2-carbonitrile, 1-(2-hydroxyethyl)-5-nitro-
- 1h-pyrrole-2-carbonitrile, 1-(2-hydroxyethyl)-5-nitro- (9ci)
- hcnp
- np 1
- pyrrole-2-carbonitrile, 1-(2-hydroxyethyl)-5-nitro-
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CAS Number(s) |
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InChIKey |
LMXHFXAFDMNKIM-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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