UCJ
Summary
Name: | propan-2-yl hydrogen (S)-methylphosphonate |
Formula: | C4 H11 O3 P |
Formal charge: | 0 |
Formula weight: | 138.102 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | propan-2-yl hydrogen (S)-methylphosphonate |
OpenEye OEToolkits | 2.0.7 | methyl(propan-2-yloxy)phosphinic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(OC(C)C)(O)C |
InChI | InChI | 1.03 | InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6) |
InChIKey | InChI | 1.03 | GHZKGHQGPXBWSN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)O[P](C)(O)=O |
SMILES | CACTVS | 3.385 | CC(C)O[P](C)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)OP(=O)(C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)OP(=O)(C)O |