
 OpenBabel04291915423D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.2159    6.4865   -0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    7.0318   -0.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656    5.9072   -0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    6.1522   -0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9673    7.5114   -0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1742    7.7353   -0.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598    8.5710   -0.4939 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2037    7.6399   -0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3012    5.2003   -0.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5346    5.4291   -0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8324    2.1272   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1527    2.3721   -0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6003    3.6361   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7276    4.6551   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4073    4.4101   -0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9266    3.8822   -0.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677    5.9393    0.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3674    5.8380   -1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540    7.6803    0.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543    7.5790   -1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3732    9.5027   -0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7894    7.8869    0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278    7.8801   -1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8233    1.5891   -0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0716    5.6265   -0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0633    3.4388   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2389    4.7642   -0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
>  <SKU>
A13804

>  <Product Name>
CID 755673

>  <CAS>
521937-07-5

>  <M.Wt>
217.22064

>  <Formula>
C12H11NO3

>  <Synonyms>
CID755673, CID-755673

>  <URL>
https://www.adooq.com/cid-755673.html

$$$$
