7VD
Summary
| Name: | (2-oxopropyl)phosphonic acid |
| Formula: | C3 H7 O4 P |
| Formal charge: | 0 |
| Formula weight: | 138.059 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2-oxopropyl)phosphonic acid |
| OpenEye OEToolkits | 2.0.6 | 2-oxidanylidenepropylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(O)(CC(C)=O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C3H7O4P/c1-3(4)2-8(5,6)7/h2H2,1H3,(H2,5,6,7) |
| InChIKey | InChI | 1.03 | DVSHXLWNRCEDCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)CP(=O)(O)O |
