| Formula |
C12H11NO4 |
| IUPAC Name |
(3s)-3-benzoyloxy-4-cyano-butanoic acid |
| Molecular Mass |
233.220 g·mol−1 |
| Heat of Formation |
-551.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.39 ± 1.08 D |
| Volume |
274.65 Å 3 |
| Surface Area |
254.96 Å 2 |
| HOMO Energy |
-10.33 ± 0.55 eV |
| LUMO Energy |
-0.85 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (3s)-3-(benzoyloxy)-4-cyano-butanoic acid
- (3s)-3-(benzoyloxy)-4-cyano-butyric acid
- (3s)-4-cyano-3-(oxo-phenylmethoxy)butanoic acid
- (3s)-4-cyano-3-phenylcarbonyloxy-butanoic acid
- 3-benzoyloxy-4-cyanobutanoic acid
|
| CAS Number(s) |
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| InChIKey |
GKWZKZVNTLJRFP-JTQLQIEISA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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