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ETHYL CYANOGLYOXYLATE-2-OXIME
ETHYL CYANOGLYOXYLATE-2-OXIME
ID: BP-12017
CAS:3849-21-6
Supplier:BroadPharm

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SMILES:C(=N\O)(/C(=O)OCC)\C#N	
FORMULA: C5H6N2O3
MASS: 142.1127
EXACT MASS: 142.0378421
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      N   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    1.2507     2.1654     0.0000 
   N   4    2.5013     3.3082     1.2507     0.0000 
   N   5    1.2508     2.1655     2.1667     3.3096     0.0000 
   O   6    2.1655     1.2508     3.3083     4.5087     2.5000     0.0000 
   O   7    2.1654     1.2507     2.5000     3.3074     3.3083     2.1667 
   O   8    2.1655     3.3075     2.5014     3.3096     1.2500     3.7500 
   C   9    3.3074     2.1654     3.7500     4.5071     4.3309     2.5014 
   C  10    4.3309     3.3082     4.5071     5.0000     5.4501     3.7521 

              O   7      O   8      C   9      C  10
              --------------------------------------------
   O   7    0.0000 
   O   8    4.3309     0.0000 
   C   9    1.2500     5.4493     0.0000 
   C  10    2.1654     6.4964     1.2507     0.0000 



ATOMIC CHARGES
   C   1    0.2666446306
   C   2    0.3725900273
   C   3    0.1300156286
   N   4   -0.1889309657
   N   5   -0.0121756512
   O   6   -0.2422743305
   O   7   -0.4438367719
   O   8   -0.1422820836
   C   9    0.2089665413
   C  10    0.0512829750


BOND ANGLES
   2    1    3   C2   C2   C1    119.982
   2    1    5   C2   C2   N2    119.980
   3    1    5   C1   C2   N2    120.037
   1    2    6   C2   C2   O2    119.980
   1    2    7   C2   C2   O3    119.982
   6    2    7   O2   C2   O3    120.037
   1    3    4   C2   C1   N1    179.974
   1    5    8   C2   N2   O2    119.980
   2    7    9   C2   O3   C3    119.982
   7    9   10   O3   C3   C3    119.982


TORSION ANGLES
   6    2    1    3    179.974
   6    2    1    5      0.026
   7    2    1    3      0.026
   7    2    1    5    179.974
   4    3    1    2      0.026
   4    3    1    5    179.974
   8    5    1    2    179.974
   8    5    1    3      0.026
   9    7    2    1    179.974
   9    7    2    6      0.026
  10    9    7    2    179.974