Formula |
C10H9NO |
IUPAC Name |
(2s)-3-oxo-2-phenyl-butanenitrile |
Molecular Mass |
159.185 g·mol−1 |
Heat of Formation |
36.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.89 ± 1.08 D |
Volume |
205.03 Å 3 |
Surface Area |
198.24 Å 2 |
HOMO Energy |
-10.05 ± 0.55 eV |
LUMO Energy |
-0.39 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (2s)-3-keto-2-phenyl-butyronitrile
- (2s)-3-oxo-2-phenyl-butanenitrile
|
InChIKey |
KHNWFTMUBKJWRZ-JTQLQIEISA-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
N
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