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Home Nitriles 2-Acetylbenzenecarbonitrile

2-Acetylbenzenecarbonitrile

CAS No.:
91054-33-0
Catalog Number:
AG00GRNN
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
10g
98%
In Stock USA
United States
$275
- +
25g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00GRNN
Chemical Name:
2-Acetylbenzenecarbonitrile
CAS Number:
91054-33-0
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD00272571
IUPAC Name:
2-acetylbenzonitrile
InChI:
InChI=1S/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3
InChI Key:
UZSGWJQJDLCCFN-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(=O)C
Properties
Complexity:
201  
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
Intramolecular vibrational coupling contribution to temperature dependence of vibrational mode frequencies. The Journal of chemical physics 20120414
Structure dependent energy transport: relaxation-assisted 2DIR measurements and theoretical studies. The journal of physical chemistry. B 20110929
Properties