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4'-Heptylacetophenone

Catalog Number
ACM37593036-1
CAS Number
37593-03-6
Product Name
4'-Heptylacetophenone
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
IUPAC Name
1-(4-heptylphenyl)ethanone
Molecular Weight
218.33g/mol
Molecular Formula
C15H22O
Canonical SMILES
CCCCCCCC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3
InChI Key
UQBRZOXCKKBKDU-UHFFFAOYSA-N
Complexity
190
Covalently-Bonded Unit Count
1
EC Number
253-560-5
Exact Mass
218.167065g/mol
Formal Charge
0
Heavy Atom Count
16
Monoisotopic Mass
218.167065g/mol
NSC Number
172893
Rotatable Bond Count
7
XLogP3
4.8
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