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4-(4-Methoxyphenyl)cyclohexanone

Catalog Number
ACM5309160
Product Name
4-(4-Methoxyphenyl)cyclohexanone
Structure
CAS
5309-16-0
Category
Liquid Crystal (LC) Materials
Synonyms
4-(4-methoxyphenyl)cyclohexanone
IUPAC Name
4-(4-methoxyphenyl)cyclohexan-1-one
Molecular Weight
204.26g/mol
Molecular Formula
C13H16O2
SMILES
COC1=CC=C(C=C1)C2CCC(=O)CC2
InChI
InChI=1S/C13H16O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h4-5,8-10H,2-3,6-7H2,1H3
InChIKey
ZMMQLFXRGHSTSW-UHFFFAOYSA-N
EC Number
610-959-2
Status
0
Complexity
207
Formal Charge
0
Exact Mass
204.11503g/mol
Monoisotopic Mass
204.11503g/mol
XLogP3
2.1
Covalently-Bonded Unit Count
1
Heavy Atom Count
15
Rotatable Bond Count
2
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