Formula |
C16H17NO4 |
IUPAC Name |
[(3s)-6-oxo-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl] acetate |
Molecular Mass |
287.310 g·mol−1 |
Heat of Formation |
-596.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.94 ± 1.08 D |
Volume |
340.3 Å 3 |
Surface Area |
314.84 Å 2 |
HOMO Energy |
-9.49 ± 0.55 eV |
LUMO Energy |
-0.74 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- [(3s)-6-oxo-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl] ethanoate
- acetic acid [(3s)-6-keto-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl] ester
- acetic acid [(3s)-6-oxo-1-(1-oxo-3-phenylpropyl)-2,3-dihydropyridin-3-yl] ester
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InChIKey |
JLNNQCUATONMIT-AWEZNQCLSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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