5-{2-[4-(Cyanomethyl)Phenyl]Ethyl}-2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinecarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H13N3O4++ |
| IUPAC Name | 5-[2-[4-(cyanomethyl)phenyl]ethyl]-2,6-dioxo-pyrimidine-4-carboxylic acid |
| Molecular Mass | 299.281 g·mol−1 |
| Heat of Formation | -503.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.67 ± 1.08 D |
| Volume | 343.09 Å 3 |
| Surface Area | 310.47 Å 2 |
| HOMO Energy | -9.68 ± 0.55 eV |
| LUMO Energy | 1.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HLSGPFKGIFERQZ-UHFFFAOYSA-P |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |