Formula |
C13H12O4 |
IUPAC Name |
[(4r)-4-hydroxy-6-oxo-cyclohexen-1-yl] benzoate |
Molecular Mass |
232.232 g·mol−1 |
Heat of Formation |
-534.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.41 ± 1.08 D |
Volume |
266.51 Å 3 |
Surface Area |
247.76 Å 2 |
HOMO Energy |
-10.17 ± 0.55 eV |
LUMO Energy |
-0.71 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-cyclohexen-1-one, 2-(benzoyloxy)-5-hydroxy-, (r)-
- 3,2-o-benzoyl-5-hydroxycyclohexanone
- [(4r)-4-hydroxy-6-oxo-1-cyclohexenyl] benzoate
- benzoic acid [(4r)-4-hydroxy-6-keto-1-cyclohexenyl] ester
- benzoic acid [(4r)-4-hydroxy-6-oxo-1-cyclohexenyl] ester
- mi 619
- mi-619
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CAS Number(s) |
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InChIKey |
RQVSANHJWDIJET-SNVBAGLBSA-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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