3-(2-Methyl-1,3-Benzoxazol-3-Ium-3-Yl)-1-Propanesulfonate
Properties
Property | Value |
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Formula | C11H13NO4S |
IUPAC Name | 2-methylene-3-(3-sulfopropyl)-1,3-benzoxazole |
Molecular Mass | 255.290 g·mol−1 |
Heat of Formation | -517.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.46 ± 1.08 D |
Volume | 277.68 Å 3 |
Surface Area | 246.02 Å 2 |
HOMO Energy | -8.58 ± 0.55 eV |
LUMO Energy | 2.62 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | VGMUYGXTYXTNNL-UHFFFAOYSA-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 |