3PP
Summary
| Name: | 3-PHOSPHONOPROPANOIC ACID |
| Synonyms: | 2-CARBOXYETHYLPHOSPHONIC ACID |
| Formula: | C3 H7 O5 P |
| Formal charge: | 0 |
| Formula weight: | 154.058 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-phosphonopropanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-phosphonopropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CP(=O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CP(=O)(O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8) |
| InChIKey | InChI | 1.03 | NLBSQHGCGGFVJW-UHFFFAOYSA-N |
