LSQ
Summary
| Name: | 3-(3-chlorophenyl)propanoic acid |
| Formula: | C9 H9 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 184.62 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(3-chlorophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12) |
| InChIKey | InChI | 1.03 | CLTDVBQNUHHYCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CCC(=O)O |
