3-(2-Hydroxy-2-Methyl-1,3-Benzoxazol-3(2H)-Yl)-1-Propanesulfonic Acid
Properties
Property | Value |
---|---|
Formula | C11H15NO5S |
IUPAC Name | 3-[(2s,3r)-2-hydroxy-2-methyl-1,3-benzoxazol-3-yl]propane-1-sulfonic acid |
Molecular Mass | 273.306 g·mol−1 |
Heat of Formation | -838.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.68 ± 1.08 D |
Volume | 298.56 Å 3 |
Surface Area | 273.91 Å 2 |
HOMO Energy | -8.72 ± 0.55 eV |
LUMO Energy | -0.41 ± eV |
Point Group Symmetry | C1 |
InChIKey | QIAQLBJVKAAGSK-NSHDSACASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |