UAA
Summary
| Name: | URACIL-6-ACETIC ACID |
| Synonyms: | 6-CARBOXYMETHYLURACIL |
| Formula: | C6 H6 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 170.123 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(2,6-dioxo-3H-pyrimidin-4-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=CC(=O)N1)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC1=CC(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.341 | OC(=O)CC1=CC(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(NC(=O)NC1=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(NC(=O)NC1=O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12) |
| InChIKey | InChI | 1.03 | NQAUNZZEYKWTHM-UHFFFAOYSA-N |
