Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
4-Tert-butylcyclohexa-2,4-dien-1-one	98-54-4	21136542

Structure

Other Information

Canonical SMILES	CC(C)(C)C1=CCC(=O)C=C1
Iso SMILES	CC(C)(C)C1=CCC(=O)C=C1
InChI	InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-6H,7H2,1-3H3
InChI Key	PMKLWEPJWNMZLU-UHFFFAOYSA-N
Formula	C10H14O
Mol Weight	150.218
XlogP3	2.3
Charge	0

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Synonyms Information

CAS Name	4-tert-butyl-1-cyclohexa-2,4-dienone
IUPAC Name	4-tert-butylcyclohexa-2,4-dien-1-one
Openeye Name	4-tert-butylcyclohexa-2,4-dien-1-one
Systematic Name	4-tert-butylcyclohexa-2,4-dien-1-one
Tratitional Name	4-tert-butylcyclohexa-2,4-dien-1-one