(E)-1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one

CAS	39872-57-6
Synonyms	1-Crotonyl-2,4,4-trimethylcyclohex-2-ene
IUPAC Name	(E)-1-(2,4,4-Trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Molecular Weight	192.3
Canonical SMILES	CC=CC(=O)C1CCC(C=C1C)(C)C
InChI	InChI=1S/C13H20O/c1-5-6-12(14)11-7-8-13(3,4)9-10(11)2/h5-6,9,11H,7-8H2,1-4H3/b6-5+
InChI Key	NELDPSDYTZADSA-AATRIKPKSA-N
Boiling Point	267.1±29.0 °C
Purity	98%+
Density	0.898±0.06 g/cm³
Exact Mass	192.151415257
Isomeric SMILES	C/C=C/C(=O)C1CCC(C=C1C)(C)C
Monoisotopic Mass	192.151415257
Topological Polar Surface Area	17.1 Ų