| CAS Number | 1217860-85-9 |
| Catalog Number | AG009B8P(AGN-PC-0WQZUY) |
| Chemical Name | (S)-2-phenyl-succinic acid 4-benzyl ester |
| IUPAC Name | (2S)-4-oxo-2-phenyl-4-phenylmethoxybutanoic acid |
| InChI | InChI=1S/C17H16O4/c18-16(21-12-13-7-3-1-4-8-13)11-15(17(19)20)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,20)/t15-/m0/s1 |
| InChI Key | VOEWWKJHVFJWJE-HNNXBMFYSA-N |
| MDL Number | MFCD06796532 |
| Molecular Formula | C17H16O4 |
| Molecular Weight | 284.3065 |
| SMILES | O(CC1C=CC=CC=1)C(C[C@H](C(O)=O)C1C=CC=CC=1)=O |
| Synonyms | (S)-2-phenyl-succinic acid 4-benzyl ester,
1217860-85-9,
DTXSID80649597,
MFCD06796532,
ZINC12647658,
AS-34203,
SC-87825,
(s)-2-phenylsuccinic acid 4-benzyl ester,
A-2181,
(2S)-4-(Benzyloxy)-4-oxo-2-phenylbutanoic acid,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.311g/mol |
| Monoisotopic Mass | 284.105g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number