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Home Nitriles 4-Oxo-4-phenylbutanenitrile

4-Oxo-4-phenylbutanenitrile

CAS No.:
5343-98-6
Catalog Number:
AG003LY3
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$129
- +
5g
≥ 98% (HPLC)
1 week
United States
$401
- +
10g
≥ 98% (HPLC)
1 week
United States
$719
- +
Product Description
Catalog Number:
AG003LY3
Chemical Name:
4-Oxo-4-phenylbutanenitrile
CAS Number:
5343-98-6
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00126350
IUPAC Name:
4-oxo-4-phenylbutanenitrile
InChI:
InChI=1S/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
InChI Key:
OSPRTYTUQJCKFF-UHFFFAOYSA-N
SMILES:
N#CCCC(=O)c1ccccc1
NSC Number:
520
Properties
Complexity:
195  
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:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties