Home Nitriles Benzeneacetonitrile, 2-acetyl- (9CI)

Benzeneacetonitrile, 2-acetyl- (9CI)

CAS No.:
58422-85-8
Catalog Number:
AG00EBPZ
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$417
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Product Description
Catalog Number:
AG00EBPZ
Chemical Name:
Benzeneacetonitrile, 2-acetyl- (9CI)
CAS Number:
58422-85-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00001867
IUPAC Name:
2-(2-acetylphenyl)acetonitrile
InChI:
InChI=1S/C10H9NO/c1-8(12)10-5-3-2-4-9(10)6-7-11/h2-5H,6H2,1H3
InChI Key:
QDISFSKYAUGJBK-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1C(=O)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties