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 |