78I

(2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid

Created:2021-08-04
Last modified:  2022-08-10

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count1
Bond Count17
Aromatic Bond Count0
2D diagram of 78I

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Chemical Component Summary

Name(2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid
Systematic Name (OpenEye OEToolkits)(2~{R})-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid
FormulaC5 H8 O4
Molecular Weight132.115
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[CH](C(O)=O)C1(O)CC1
SMILESOpenEye OEToolkits2.0.7C1CC1(C(C(=O)O)O)O
Canonical SMILESCACTVS3.385 O[C@@H](C(O)=O)C1(O)CC1
Canonical SMILESOpenEye OEToolkits2.0.7 C1CC1([C@H](C(=O)O)O)O
InChIInChI1.03 InChI=1S/C5H8O4/c6-3(4(7)8)5(9)1-2-5/h3,6,9H,1-2H2,(H,7,8)/t3-/m0/s1
InChIKeyInChI1.03 XIFMBZFYSIRQIK-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 164607199