8LD
2,2'-oxydi(ethyn-1-ol)
Created: | 2017-02-13 |
Last modified: | 2017-05-31 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 9 |
Chiral Atom Count | 0 |
Bond Count | 8 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2,2'-oxydi(ethyn-1-ol) |
Systematic Name (OpenEye OEToolkits) | 2-(2-oxidanylethynoxy)ethynol |
Formula | C4 H2 O3 |
Molecular Weight | 98.057 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC#COC#CO |
SMILES | CACTVS | 3.385 | OC#COC#CO |
SMILES | OpenEye OEToolkits | 2.0.6 | C(#COC#CO)O |
Canonical SMILES | CACTVS | 3.385 | OC#COC#CO |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C(#COC#CO)O |
InChI | InChI | 1.03 | InChI=1S/C4H2O3/c5-1-3-7-4-2-6/h5-6H |
InChIKey | InChI | 1.03 | QFHUYNIAGZXZMU-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 57789329 |