34C
Summary
| Name: | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID |
| Formula: | C11 H13 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 228.672 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3-chloro-4-propoxyphenyl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(3-chloro-4-propoxy-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(ccc1OCCC)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCOc1ccc(CC(O)=O)cc1Cl |
| SMILES | CACTVS | 3.341 | CCCOc1ccc(CC(O)=O)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCOc1ccc(cc1Cl)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCOc1ccc(cc1Cl)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h3-4,6H,2,5,7H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | QEJHPAGTOOIBFT-UHFFFAOYSA-N |
