FUJ
[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Created: | 2018-04-17 |
Last modified: | 2019-04-17 |
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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 | 6 |
Chemical Component Summary | |
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Name | [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid |
Systematic Name (OpenEye OEToolkits) | (7-methoxy-2-oxidanylidene-chromen-4-yl)methylphosphonic acid |
Formula | C11 H11 O6 P |
Molecular Weight | 270.175 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1ccc2c(c1)OC(C=C2CP(O)(O)=O)=O |
SMILES | CACTVS | 3.385 | COc1ccc2C(=CC(=O)Oc2c1)C[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O |
Canonical SMILES | CACTVS | 3.385 | COc1ccc2C(=CC(=O)Oc2c1)C[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C11H11O6P/c1-16-8-2-3-9-7(6-18(13,14)15)4-11(12)17-10(9)5-8/h2-5H,6H2,1H3,(H2,13,14,15) |
InChIKey | InChI | 1.03 | HFSBVOLOSSLWNW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 326957 |