| Formula |
C13H13NO3 |
| IUPAC Name |
(2r)-2-benzyl-5-cyano-4-oxo-pentanoic acid |
| Molecular Mass |
231.247 g·mol−1 |
| Heat of Formation |
-376.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.99 ± 1.08 D |
| Volume |
288.86 Å 3 |
| Surface Area |
262.09 Å 2 |
| HOMO Energy |
-9.71 ± 0.55 eV |
| LUMO Energy |
-0.05 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-2-(benzyl)-5-cyano-4-keto-valeric acid
- (2r)-5-cyano-4-oxo-2-(phenylmethyl)pentanoic acid
- 2-benzyl-5-cyano-4-oxopentanoic acid
- bcopa
- benzenepropanoic acid, alpha-(3-cyano-2-oxopropyl)-, (r)-
|
| CAS Number(s) |
|
| InChIKey |
AQDFTKPHMZIIEF-LLVKDONJSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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