Formula |
C11H14O5 |
IUPAC Name |
isobutyl 3,4,5-trihydroxybenzoate |
Molecular Mass |
226.226 g·mol−1 |
Heat of Formation |
-874.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.98 ± 1.08 D |
Volume |
267.0 Å 3 |
Surface Area |
253.42 Å 2 |
HOMO Energy |
-9.26 ± 0.55 eV |
LUMO Energy |
-0.73 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-methylpropyl 3,4,5-trihydroxybenzoate
- 3,4,5-trihydroxybenzoic acid isobutyl ester
- gallic acid iso-butyl ester
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CAS Number(s) |
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InChIKey |
UCLHVCFKZSLALE-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
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