RMN
Summary
| Name: | (R)-MANDELIC ACID |
| Formula: | C8 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 152.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-hydroxy(phenyl)ethanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-hydroxy-2-phenyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | O[CH](C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | IWYDHOAUDWTVEP-SSDOTTSWSA-N |
