47E
Summary
| Name: | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid |
| Formula: | C8 H7 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 186.592 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2R)-2-(3-chlorophenyl)-2-oxidanyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(ccc1)C(O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | SAMVPMGKGGLIPF-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](C(O)=O)c1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | O[CH](C(O)=O)c1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Cl)[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Cl)C(C(=O)O)O |
