Formula |
C6H5BrO4 |
IUPAC Name |
2-bromo-3-hydroxy-6-(hydroxymethyl)pyran-4-one |
Molecular Mass |
221.005 g·mol−1 |
Heat of Formation |
-519.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.84 ± 1.08 D |
Volume |
181.4 Å 3 |
Surface Area |
184.29 Å 2 |
HOMO Energy |
-9.46 ± 0.55 eV |
LUMO Energy |
-0.94 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-bromo-3-hydroxy-6-(hydroxymethyl)-4-pyranone
- 2-bromo-3-hydroxy-6-methylol-pyran-4-one
- 4h-pyran-4-one, 2-bromo-3-hydroxy-6-(hydroxymethyl)-
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CAS Number(s) |
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InChIKey |
XGQIEZNKWVGLRJ-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
Br
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