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3,4-dihydro-2H-benzo[b][1,4]oxazin-8-ol
3,4-dihydro-2H-benzo[b][1,4]oxazin-8-ol ID: B187262
CAS:704879-73-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(NCCO1)cccc2O	
FORMULA: C8H9NO2
MASS: 151.1626
EXACT MASS: 151.0633285
INTERATOMIC DISTANCES

              C   1      C   2      N   3      O   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7417     0.0000 
   N   3    1.2859     0.7432     0.0000 
   O   4    0.7396     1.2879     1.4917     0.0000 
   C   5    0.7483     1.2864     1.9673     1.2875     0.0000 
   O   6    1.2885     1.9634     2.5743     1.4838     0.7417     0.0000 
   C   7    1.4859     1.2917     0.7504     1.2921     2.2342     2.6818 
   C   8    1.4859     1.2833     1.9612     2.2255     1.2822     1.9607 
   C   9    1.2921     0.7468     1.2875     1.9705     1.4875     2.2292 
   C  10    1.2875     1.4822     2.2255     1.9612     0.7375     1.2822 
   C  11    1.2875     1.4895     1.2921     0.7504     1.9727     2.2342 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.5750     0.0000 
   C   9    1.9735     0.7396     0.0000 
   C  10    2.6797     0.7417     1.2859     0.0000 
   C  11    0.7417     2.6797     2.2363     2.5750     0.0000 



ATOMIC CHARGES
   C   1    0.1918903631
   C   2    0.1024893940
   N   3   -0.2304873058
   O   4   -0.4690067280
   C   5    0.2305723306
   O   6   -0.2832760130
   C   7    0.1594872986
   C   8    0.0048111913
   C   9    0.0193738016
   C  10    0.0453058818
   C  11    0.2288397858


BOND ANGLES
   2    1    4  Car  Car   O3    120.790
   2    1    5  Car  Car  Car    119.379
   4    1    5   O3  Car  Car    119.831
   1    2    3  Car  Car  Npl    119.977
   1    2    9  Car  Car  Car    120.467
   3    2    9  Npl  Car  Car    119.556
   2    3    7  Car  Npl   C3    119.717
   1    4   11  Car   O3   C3    119.553
   1    5    6  Car  Car   O3    119.703
   1    5   10  Car  Car  Car    120.113
   6    5   10   O3  Car  Car    120.184
   3    7   11  Npl   C3   C3    119.982
   9    8   10  Car  Car  Car    120.466
   2    9    8  Car  Car  Car    119.392
   5   10    8  Car  Car  Car    120.184
   4   11    7   O3   C3   C3    119.982


TORSION ANGLES
   3    2    1    4      0.026
   3    2    1    5    179.974
   9    2    1    4    179.974
   9    2    1    5      0.026
   7    3    2    1      0.026
   7    3    2    9    179.974
  11    4    1    2      0.026
  11    4    1    5    179.974
   6    5    1    2    179.974
   6    5    1    4      0.026
  10    5    1    2      0.026
  10    5    1    4    179.974
   3    7   11    4      0.026
   9    8   10    5      0.026
   8    9    2    1      0.026
   8    9    2    3    179.974
   8   10    5    1      0.026
   8   10    5    6    179.974
   7   11    4    1      0.026
   2    9    8   10      0.026
   2    3    7   11      0.026