PAE
Summary
Name: | PHOSPHONOACETIC ACID |
Formula: | C2 H5 O5 P |
Formal charge: | 0 |
Formula weight: | 140.032 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | phosphonoacetic acid |
OpenEye OEToolkits | 1.5.0 | 2-phosphonoethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C[P](O)(O)=O |
SMILES | CACTVS | 3.341 | OC(=O)C[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) |
InChIKey | InChI | 1.03 | XUYJLQHKOGNDPB-UHFFFAOYSA-N |