3-(1,3-Butadienyl)-2,4,4-trimethylcyclohex-2-en-1-one

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Catalog Number
ACM84696844
Product Name
3-(1,3-Butadienyl)-2,4,4-trimethylcyclohex-2-en-1-one
Structure
Structure
CAS
84696-84-4
Category
Heterocyclic Organic Compound
Synonyms
EINECS 283-691-3, CID642506, 3-(1,3-Butadienyl)-2,4,4-trimethylcyclohex-2-en-1-one, 2-cyclohexen-1-one, 3-[(1E)-1,3-butadienyl]-2,4,4-trimethyl-, 3-[(1E)-buta-1,3-dien-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one, 84696-84-4, InChI=1/C13H18O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-7H,1,8-9H2,2-4H3/b7-6
IUPAC Name
3-[(1E)-buta-1,3-dienyl]-2,4,4-trimethylcyclohex-2-en-1-one
Molecular Weight
190.281420 [g/mol]
Molecular Formula
C13H18O
Canonical SMILES
CC1=C(C(CCC1=O)(C)C)C=CC=C
InChI Key
NSFWSHKUSWODJO-VOTSOKGWSA-N
Boiling Point
290.5ºC at 760 mmHg
Flash Point
125.3ºC
Density
0.96g/cm³
EC Number
283-691-3
Exact Mass
190.13600
H-Bond Acceptor
1
H-Bond Donor
0
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