XP1
Summary
| Name: | 4-(DIMETHYLAMINO)BENZOIC ACID |
| Formula: | C9 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 165.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(dimethylamino)benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-dimethylaminobenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(N(C)C)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | CN(C)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc(cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | YDIYEOMDOWUDTJ-UHFFFAOYSA-N |
