2FU
BUT-2-ENEDIAL
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 10 |
Chiral Atom Count | 0 |
Bond Count | 9 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | BUT-2-ENEDIAL |
Systematic Name (OpenEye OEToolkits) | but-2-enedial |
Formula | C4 H4 O2 |
Molecular Weight | 84.073 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C\C=C\C=O |
SMILES | CACTVS | 3.341 | O=CC=CC=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(=CC=O)C=O |
Canonical SMILES | CACTVS | 3.341 | O=C\C=C\C=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(=CC=O)C=O |
InChI | InChI | 1.03 | InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+ |
InChIKey | InChI | 1.03 | JGEMYUOFGVHXKV-OWOJBTEDSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 5287477 |
ChEBI | CHEBI:39827, CHEBI:38123 |