SYD
[(5-phenylpyridin-2-yl)methyl]phosphonic acid
Created: | 2010-09-14 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 0 |
Bond Count | 30 |
Aromatic Bond Count | 13 |
Chemical Component Summary | |
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Name | [(5-phenylpyridin-2-yl)methyl]phosphonic acid |
Systematic Name (OpenEye OEToolkits) | (5-phenylpyridin-2-yl)methylphosphonic acid |
Formula | C12 H12 N O3 P |
Molecular Weight | 249.202 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)Cc1ncc(cc1)c2ccccc2 |
SMILES | CACTVS | 3.370 | O[P](O)(=O)Cc1ccc(cn1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O |
Canonical SMILES | CACTVS | 3.370 | O[P](O)(=O)Cc1ccc(cn1)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16) |
InChIKey | InChI | 1.03 | JTYLHYFDHHMHKD-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 50897581 |
ChEMBL | CHEMBL1615246 |