4-(Hydroxymethyl)-6-[(4-Nitrophenyl)Amino]-1,2,3-Cyclohexanetriol
Properties
Property | Value |
---|---|
Formula | C13H18N2O6 |
IUPAC Name | (1r,2r,3s,4s,6s)-4-(hydroxymethyl)-6-(4-nitroanilino)cyclohexane-1,2,3-triol |
Molecular Mass | 298.292 g·mol−1 |
Heat of Formation | -725.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.20 ± 1.08 D |
Volume | 339.06 Å 3 |
Surface Area | 302.9 Å 2 |
HOMO Energy | -9.10 ± 0.55 eV |
LUMO Energy | 2.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | JXUGHMBEWUEHHW-UYYQOPGSSA-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 |