3C4
Summary
| Name: | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID |
| Formula: | C8 H7 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 186.592 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3-chloro-4-hydroxyphenyl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(3-chloro-4-hydroxy-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(ccc1O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1ccc(O)c(Cl)c1 |
| SMILES | CACTVS | 3.341 | OC(=O)Cc1ccc(O)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1CC(=O)O)Cl)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1CC(=O)O)Cl)O |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | IYTUKSIOQKTZEG-UHFFFAOYSA-N |
