CVX
O-BUTLYLMETHYLPHOSPHONIC ACID ESTER GROUP
Created: | 2010-09-02 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 0 |
Bond Count | 21 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | O-BUTLYLMETHYLPHOSPHONIC ACID ESTER GROUP |
Systematic Name (OpenEye OEToolkits) | butoxy-methyl-phosphinic acid |
Formula | C5 H13 O3 P |
Molecular Weight | 152.129 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(OCCCC)C |
SMILES | CACTVS | 3.352 | CCCCO[P](C)(O)=O |
SMILES | OpenEye OEToolkits | 1.6.1 | CCCCOP(=O)(C)O |
Canonical SMILES | CACTVS | 3.352 | CCCCO[P](C)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.6.1 | CCCCO[P@@](=O)(C)O |
InChI | InChI | 1.03 | InChI=1S/C5H13O3P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3,(H,6,7) |
InChIKey | InChI | 1.03 | GZUFHXSFPZCNJA-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 12459492 |