
 OpenBabel04291915443D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.1058    3.5134   -0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4113    3.4382   -2.0966 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0623    3.4393   -2.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3898    3.3664   -3.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0469    3.3664   -3.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3764    3.4391   -2.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    3.4390   -2.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4052    3.4393   -2.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630    3.5118   -0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201    3.5117   -0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496    3.5845    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780    3.5844    0.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0046    3.5071   -1.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    3.2934   -4.4223 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3689    3.2181   -5.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576    3.5003   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8471    2.6771   -0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8484    4.4209   -0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5302    3.3104   -4.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4372    3.4394   -2.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798    3.5678   -0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    3.4558   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0635    3.1673   -6.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7536    4.0865   -5.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7538    2.3426   -5.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  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
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <SKU>
A14856

>  <Product Name>
Scoparone

>  <CAS>
120-08-1

>  <M.Wt>
206.1947

>  <Formula>
C11H10O4

>  <Synonyms>
N/A

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

$$$$
