EYY
Summary
| Name: | 3-(quinolin-2-yl)propanoic acid |
| Formula: | C12 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 201.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(quinolin-2-yl)propanoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-quinolin-2-ylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)=O)Cc2ccc1ccccc1n2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15) |
| InChIKey | InChI | 1.03 | PBXJDATXARPDPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1ccc2ccccc2n1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1ccc2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)ccc(n2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)ccc(n2)CCC(=O)O |
