| Formula |
C10H5NO2 |
| IUPAC Name |
2-oxochromene-3-carbonitrile |
| Molecular Mass |
171.152 g·mol−1 |
| Heat of Formation |
-11.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.23 ± 1.08 D |
| Volume |
192.28 Å 3 |
| Surface Area |
192.3 Å 2 |
| HOMO Energy |
-9.96 ± 0.55 eV |
| LUMO Energy |
-1.89 ± eV |
| Point Group Symmetry |
Cs
|
| Synonyms
|
- 2-ketochromene-3-carbonitrile
- 2-oxo-2h-1-benzopyran-3-carbonitrile
- 2-oxo-3-chromenecarbonitrile
- 2h-1-benzopyran-3-carbonitrile, 2-oxo-
- 3-cyano-coumarin
- coumarin, 3-cyano- (7ci,8ci)
- oprea1_612712
|
| CAS Number(s) |
|
| InChIKey |
QKJALQPLNMEDAV-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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