Mol:KOX00002

Revision as of 17:13, 8 June 2009

 
  ISISHOST03240423022D 1   1.00000     0.00000   326 
 
  7  6  0     0  0            999 V2000 
    0.1862   -0.3207    0.0000 C   0  0  0  0  0  0           0  0  0 
    0.8345    0.0552    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.4621    0.0552    0.0000 C   0  0  0  0  0  0           0  0  0 
    1.4828   -0.3241    0.0000 O   0  0  0  0  0  0           0  0  0 
    0.8345    0.8034    0.0000 O   0  0  0  0  0  0           0  0  0 
   -1.1138   -0.3207    0.0000 C   0  0  0  0  0  0           0  0  0 
   -1.7621    0.0552    0.0000 N   0  0  0  0  0  0           0  0  0 
  1  2  1  0     0  0 
  1  3  1  0     0  0 
  2  4  1  0     0  0 
  2  5  2  0     0  0 
  3  6  1  0     0  0 
  6  7  1  0     0  0 
S  SKP  5 
ID	KOX00002 
FORMULA	C4H9NO2 
EXACTMASS	103.06332853699999 
AVERAGEMASS	103.11980000000001 
SMILES	NCCCC(O)=O 
M  END