Formula |
C13H18O3 |
IUPAC Name |
3-hexyl-2-hydroxy-benzoic acid |
Molecular Mass |
222.280 g·mol−1 |
Heat of Formation |
-631.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.81 ± 1.08 D |
Volume |
282.9 Å 3 |
Surface Area |
272.39 Å 2 |
HOMO Energy |
-9.34 ± 0.55 eV |
LUMO Energy |
-0.78 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-hexylsalicylic acid
- benzoic acid, 3-hexyl-2-hydroxy-
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CAS Number(s) |
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InChIKey |
WJCRKKDULZQKDB-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
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