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4-(p-Tolyl)cyclohexanone
Catalog Number
ACM40503900
CAS
40503-90-0
IUPAC Name
4-(4-methylphenyl)cyclohexan-1-one
Synonyms
4-(4-Methylphenyl)cyclohexanone
Molecular Weight
188.27
Molecular Formula
C13H16O
Product Information
Canonical SMILES
CC1=CC=C(C=C1)C2CCC(=O)CC2
InChI
InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12H,6-9H2,1H3
InChI Key
XDHMORMQXOUOHT-UHFFFAOYSA-N
Melting Point
51 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Storage
Room temperature.
Complexity
191
Exact Mass
188.120115g/mol
Heavy Atom Count
14
MDL Number
MFCD14584461
Monoisotopic Mass
188.120115g/mol
Reaxys Registry Number
2259489
Rotatable Bond Count
1
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