SSN
4-oxobutanoic acid
Created: | 2011-01-31 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 13 |
Chiral Atom Count | 0 |
Bond Count | 12 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 4-oxobutanoic acid |
Synonyms | Succinic semialdehyde |
Systematic Name (OpenEye OEToolkits) | 4-oxobutanoic acid |
Formula | C4 H6 O3 |
Molecular Weight | 102.089 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=CCCC(=O)O |
SMILES | CACTVS | 3.370 | OC(=O)CCC=O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(=O)O)C=O |
Canonical SMILES | CACTVS | 3.370 | OC(=O)CCC=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(=O)O)C=O |
InChI | InChI | 1.03 | InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7) |
InChIKey | InChI | 1.03 | UIUJIQZEACWQSV-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 1112 |
ChEBI | CHEBI:16265 |