
 OpenBabel04291915433D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.8837    1.0020    0.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2699   -0.0462   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682   -1.2384   -0.2064 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2699   -2.4308   -0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8259   -2.4310   -0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0849   -3.6964   -0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4027   -1.2382   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1689   -1.3092   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8909   -0.0760   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2194    1.0704    0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8909    2.2173    0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2194    3.3638    0.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0086    7.8859    1.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9099    6.8468    1.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2164    5.6623    0.9651 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8909    4.5106    0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -0.0757   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837   -3.4788   -0.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -0.0463   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3526   -3.9808   -1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5626   -4.4279   -0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0001   -1.2269    0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874   -0.9117   -0.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631   -1.3095   -0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126    1.0701    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9229    2.2176    0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5236    7.0488    0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5265    6.7569    2.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -0.6871   -0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4 18  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 29  1  0  0  0  0
M  END
>  <SKU>
A14389

>  <Product Name>
KNK437

>  <CAS>
218924-25-5

>  <M.Wt>
245.23074

>  <Formula>
C13H11NO4

>  <Synonyms>
KNK-437, KNK 437

>  <URL>
https://www.adooq.com/knk437.html

$$$$
