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4'-Cyanoacetophenone

Catalog Number
ACM1443807
CAS Number
1443-80-7
Product Name
4'-Cyanoacetophenone
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
IUPAC Name
4-acetylbenzonitrile
Molecular Weight
145.16g/mol
Molecular Formula
C9H7NO
Canonical SMILES
CC(=O)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChI Key
NLPHXWGWBKZSJC-UHFFFAOYSA-N
Melting Point
57.5 °C
Complexity
193
Covalently-Bonded Unit Count
1
EC Number
215-885-0
Exact Mass
145.052764g/mol
Formal Charge
0
Heavy Atom Count
11
Log P
1.22 (LogP)
Monoisotopic Mass
145.052764g/mol
Rotatable Bond Count
1
XLogP3
1.2
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