GB
Summary
Name: | METHYLPHOSPHONIC ACID ESTER GROUP |
Formula: | C H5 O3 P |
Formal charge: | 0 |
Formula weight: | 96.022 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | methylphosphonic acid |
OpenEye OEToolkits | 1.5.0 | methylphosphonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[P](O)(O)=O |
SMILES | CACTVS | 3.341 | C[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4) |
InChIKey | InChI | 1.03 | YACKEPLHDIMKIO-UHFFFAOYSA-N |