GZ3
Summary
| Name: | (E)-2-METHYL-3-PHOSPHONOACRYLATE |
| Formula: | C4 H7 O5 P |
| Formal charge: | 0 |
| Formula weight: | 166.069 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-methyl-3-phosphonoprop-2-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (E)-2-methyl-3-phosphono-prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)\C=C(\C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C4H7O5P/c1-3(4(5)6)2-10(7,8)9/h2H,1H3,(H,5,6)(H2,7,8,9)/b3-2+ |
| InChIKey | InChI | 1.03 | XGDAHZFVQMTYCT-NSCUHMNNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C/[P](O)(O)=O)\C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=C[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=C\P(=O)(O)O)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CP(=O)(O)O)C(=O)O |
