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Home Nitriles 4-Acetylbenzonitrile

4-Acetylbenzonitrile

CAS No.:
1443-80-7
Catalog Number:
AG001JAE
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$18
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$200
- +
500g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG001JAE
Chemical Name:
4-Acetylbenzonitrile
CAS Number:
1443-80-7
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD00001825
IUPAC Name:
4-acetylbenzonitrile
InChI:
InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChI Key:
NLPHXWGWBKZSJC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)C
EC Number:
215-885-0
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Preparation of a family of hexanuclear rhenium cluster complexes containing 5-(phenyl)tetrazol-2-yl ligands and alkylation of 5-substituted tetrazolate ligands. Inorganic chemistry 20120716
Synthesis of some thiophene, imidazole and pyridine derivatives exhibiting good anti-inflammatory and analgesic activities. Medicinal chemistry (Shariqah (United Arab Emirates)) 20080301
Electronic effects of para-substitution on acetophenones in the reaction of rat liver 3alpha-hydroxysteroid dehydrogenase. Bioorganic & medicinal chemistry 20080201
Properties