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Home Nitriles 3-(2-Methylphenyl)-3-oxopropanenitrile

3-(2-Methylphenyl)-3-oxopropanenitrile

CAS No.:
35276-81-4
Catalog Number:
AG007DXJ
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(GC)
In Stock USA
United States
$47
- +
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$244
- +
10g
98%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG007DXJ
Chemical Name:
3-(2-Methylphenyl)-3-oxopropanenitrile
CAS Number:
35276-81-4
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD02260802
IUPAC Name:
3-(2-methylphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H9NO/c1-8-4-2-3-5-9(8)10(12)6-7-11/h2-5H,6H2,1H3
InChI Key:
DMTQMHCHBQZTOJ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccccc1C
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:
1.9  
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