Icilin
Properties
Property | Value |
---|---|
Formula | C16H13N3O4 |
IUPAC Name | 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one |
Molecular Mass | 311.292 g·mol−1 |
Heat of Formation | -88.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.88 ± 1.08 D |
Volume | 341.48 Å 3 |
Surface Area | 313.08 Å 2 |
HOMO Energy | -8.67 ± 0.55 eV |
LUMO Energy | -1.54 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | RCEFMOGVOYEGJN-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem Wikipedia ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |