8LD

2,2'-oxydi(ethyn-1-ol)

Created: 2017-02-13
Last modified:  2017-05-31

Find related ligands:

Chemical Details

Formal Charge0
Atom Count9
Chiral Atom Count0
Bond Count8
Aromatic Bond Count0
2D diagram of 8LD

Chemical Component Summary

Name2,2'-oxydi(ethyn-1-ol)
Systematic Name (OpenEye OEToolkits)2-(2-oxidanylethynoxy)ethynol
FormulaC4 H2 O3
Molecular Weight98.057
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OC#COC#CO
SMILESCACTVS3.385OC#COC#CO
SMILESOpenEye OEToolkits2.0.6C(#COC#CO)O
Canonical SMILESCACTVS3.385 OC#COC#CO
Canonical SMILESOpenEye OEToolkits2.0.6 C(#COC#CO)O
InChIInChI1.03 InChI=1S/C4H2O3/c5-1-3-7-4-2-6/h5-6H
InChIKeyInChI1.03 QFHUYNIAGZXZMU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 57789329