CAS
54789-24-1 Purity
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54789-24-1 Purity
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1-(2,3,6-Trimethylphenyl)but-3-en-2-one
CAS
54789-45-6
Catalog Number
ACM54789456
Category
Other Products
Molecular Weight
188.266 g/mol
Molecular Formula
C13H16O
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Specification
Synonyms
CID41183, 1-(2,3,6-TRIMETHYLPHENYL)-3-BUTEN-2-ONE, 3-Buten-2-one, 1-(2,3,6-trimethylphenyl)-, 54789-45-6
IUPAC Name
1-(2,3,6-trimethylphenyl)but-3-en-2-one
Canonical SMILES
CC1=C(C(=C(C=C1)C)CC(=O)C=C)C
InChI Key
KBGDCKHDBZJUKE-UHFFFAOYSA-N
Boiling Point
305.6ºC at 760 mmHg
Flash Point
112.7ºC
Density
0.959g/cm³
Exact Mass
188.12000
H-Bond Acceptor
1
H-Bond Donor
0
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