Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
beta-Ionone	14901-07-6	638014

Structure

Other Information

Canonical SMILES	CC1=C(C(CCC1)(C)C)C=CC(=O)C
Iso SMILES	CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
InChI	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChI Key	PSQYTAPXSHCGMF-BQYQJAHWSA-N
Formula	C13H20O
Mol Weight	192.297
XlogP3	2.9
Charge	0

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Synonyms Information

CAS Name	(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one
IUPAC Name	(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Openeye Name	(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Systematic Name	(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Tratitional Name	(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one