Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
alpha-Ionone 127-41-3 5282108
Structure Other Information
Canonical SMILES CC1=CCCC(C1C=CC(=O)C)(C)C
Iso SMILES CC1=CCCC(C1/C=C/C(=O)C)(C)C
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChI Key UZFLPKAIBPNNCA-BQYQJAHWSA-N
Formula C13H20O
Mol Weight 192.297
XlogP3 3
Charge 0

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Synonyms Information
CAS Name (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-one
IUPAC Name (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Openeye Name (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Systematic Name (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Tratitional Name (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one