BGQ

2-HYDROXY BUTANE-1,4-DIOL

Created:2014-09-29
Last modified:  2016-01-20

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count1
Bond Count15
Aromatic Bond Count0
2D diagram of BGQ

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Chemical Component Summary

Name2-HYDROXY BUTANE-1,4-DIOL
Systematic Name (OpenEye OEToolkits)(3R)-4-$l^{1}-oxidanylbutane-1,3-diol
FormulaC4 H9 O3
Molecular Weight105.112
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCC(O)CCO
SMILESCACTVS3.385[O]C[CH](O)CCO
SMILESOpenEye OEToolkits1.7.6C(CO)C(C[O])O
Canonical SMILESCACTVS3.385 [O]C[C@H](O)CCO
Canonical SMILESOpenEye OEToolkits1.7.6 C(CO)[C@H](C[O])O
InChIInChI1.03 InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1
InChIKeyInChI1.03 ARXKVVRQIIOZGF-SCSAIBSYSA-N

Related Resource References

Resource NameReference
PubChem 137349005