Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
2,3-Butanedione 431-03-8 650
Structure Other Information
Canonical SMILES CC(=O)C(=O)C
Iso SMILES CC(=O)C(=O)C
InChI InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChI Key QSJXEFYPDANLFS-UHFFFAOYSA-N
Formula C4H6O2
Mol Weight 86.0892
XlogP3 -1.3
Charge 0

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Synonyms Information
CAS Name butane-2,3-dione
IUPAC Name butane-2,3-dione
Openeye Name butane-2,3-dione
Systematic Name butane-2,3-dione
Tratitional Name butane-2,3-dione