BHK
Summary
| Name: | (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid |
| Formula: | C12 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 222.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-5-hydroxy-4-oxo-2-(phenylmethyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CO)CC(C(=O)O)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OCC(=O)C[C@@H](Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | OCC(=O)C[CH](Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@H](CC(=O)CO)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(CC(=O)CO)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H14O4/c13-8-11(14)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,15,16)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | HHXVRTWUQBYAFG-SNVBAGLBSA-N |
