Formula |
C18H17ClO8 |
IUPAC Name |
methyl 3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-methyl-benzoate |
Molecular Mass |
396.776 g·mol−1 |
Heat of Formation |
-1216.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.08 ± 1.08 D |
Volume |
429.66 Å 3 |
Surface Area |
364.64 Å 2 |
HOMO Energy |
-9.02 ± 0.55 eV |
LUMO Energy |
-0.85 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid methyl ester
- 6-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-3-chloro-2-hydroxy-4-methyl-benzoic acid methyl ester
- methyl 3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
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InChIKey |
XSBBWBWHNNKSSM-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
C
O
Cl
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