| Formula |
C15H15NO4 |
| IUPAC Name |
[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl benzoate |
| Molecular Mass |
273.284 g·mol−1 |
| Heat of Formation |
-527.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.89 ± 1.08 D |
| Volume |
313.64 Å 3 |
| Surface Area |
285.48 Å 2 |
| HOMO Energy |
-9.33 ± 0.55 eV |
| LUMO Energy |
-0.82 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-o-benzoyl pyridoxine
- [3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-4-yl]methyl benzoate
- [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl benzoate
- alpha(4)-o-benzoyl pyridoxine
- benzoic acid (3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl ester
- benzoic acid [3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl ester
- pyridoxine 4-benzoic acid ester
|
| CAS Number(s) |
|
| InChIKey |
VYPDKSKLULNJPO-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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