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4-Butylacetophenone

Catalog Number
ACM37920255-1
CAS Number
37920-25-5
Product Name
4-Butylacetophenone
Structure
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
1-(4-butylphenyl)ethanone
Molecular Weight
176.25g/mol
Molecular Formula
C12H16O
Canonical SMILES
CCCCC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H16O/c1-3-4-5-11-6-8-12(9-7-11)10(2)13/h6-9H,3-5H2,1-2H3
InChI Key
MQESVSITPLILCO-UHFFFAOYSA-N
Complexity
155
Covalently-Bonded Unit Count
1
EC Number
253-715-7
Exact Mass
176.120115g/mol
Formal Charge
0
Heavy Atom Count
13
Monoisotopic Mass
176.120115g/mol
Rotatable Bond Count
4
UNII
6738CF9Z8V
XLogP3
3.4
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