SSN

4-oxobutanoic acid

Created: 2011-01-31
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count12
Aromatic Bond Count0
2D diagram of SSN

Chemical Component Summary

Name4-oxobutanoic acid
SynonymsSuccinic semialdehyde
Systematic Name (OpenEye OEToolkits)4-oxobutanoic acid
FormulaC4 H6 O3
Molecular Weight102.089
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=CCCC(=O)O
SMILESCACTVS3.370OC(=O)CCC=O
SMILESOpenEye OEToolkits1.7.0C(CC(=O)O)C=O
Canonical SMILESCACTVS3.370 OC(=O)CCC=O
Canonical SMILESOpenEye OEToolkits1.7.0 C(CC(=O)O)C=O
InChIInChI1.03 InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
InChIKeyInChI1.03 UIUJIQZEACWQSV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 1112
ChEBI CHEBI:16265