CIT
Summary
| Name: | CITRIC ACID |
| Formula: | C6 H8 O7 |
| Formal charge: | 0 |
| Formula weight: | 192.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-hydroxypropane-1,2,3-tricarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 2-hydroxypropane-1,2,3-tricarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(O)(C(=O)O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC(O)(CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC(O)(CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
