| Formula |
C13H16O6 |
| IUPAC Name |
[(4s)-4-hydroxy-2-oxo-pentyl] 2,4-dihydroxy-6-methyl-benzoate |
| Molecular Mass |
268.263 g·mol−1 |
| Heat of Formation |
-1081.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.76 ± 1.08 D |
| Volume |
305.84 Å 3 |
| Surface Area |
288.65 Å 2 |
| HOMO Energy |
-9.54 ± 0.55 eV |
| LUMO Energy |
-0.55 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2,4-dihydroxy-6-methyl-benzoic acid [(4s)-4-hydroxy-2-keto-pentyl] ester
- 2,4-dihydroxy-6-methylbenzoic acid [(4s)-4-hydroxy-2-oxopentyl] ester
- [(4s)-4-hydroxy-2-oxo-pentyl] 2,4-dihydroxy-6-methyl-benzoate
- [(4s)-4-hydroxy-2-oxopentyl] 2,4-dihydroxy-6-methylbenzoate
|
| InChIKey |
XPROBYNUZWGFGY-QMMMGPOBSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
|
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