Formula |
C9H8N2O2 |
IUPAC Name |
4-methyl-5-(4-pyridyl)-3h-oxazol-2-one |
Molecular Mass |
176.172 g·mol−1 |
Heat of Formation |
-141.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.25 ± 1.08 D |
Volume |
199.21 Å 3 |
Surface Area |
197.41 Å 2 |
HOMO Energy |
-9.11 ± 0.55 eV |
LUMO Energy |
-0.91 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2(3h)-oxazolone, 4-methyl-5-(4-pyridinyl)
- 4-methyl-5-(4-pyridinyl)-2(3h)-oxazolone
- 4-methyl-5-(4-pyridyl)-3h-oxazol-2-one
- 4-methyl-5-pyridin-4-yl-3h-1,3-oxazol-2-one
- mdl 27044
- mdl-27044
|
CAS Number(s) |
|
InChIKey |
HYFQYGZLUXYDEG-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|