QMP
cyclohexyl methylphosphonate
Created: | 2011-11-23 |
Last modified: | 2011-11-23 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | cyclohexyl methylphosphonate |
Systematic Name (OpenEye OEToolkits) | cyclohexyloxy(methyl)phosphinic acid |
Formula | C7 H15 O3 P |
Molecular Weight | 178.166 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(OC1CCCCC1)C |
SMILES | CACTVS | 3.370 | C[P](O)(=O)OC1CCCCC1 |
SMILES | OpenEye OEToolkits | 1.7.6 | CP(=O)(O)OC1CCCCC1 |
Canonical SMILES | CACTVS | 3.370 | C[P](O)(=O)OC1CCCCC1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CP(=O)(O)OC1CCCCC1 |
InChI | InChI | 1.03 | InChI=1S/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9) |
InChIKey | InChI | 1.03 | SWYGLBJVTQMYSE-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 150950 |