
 OpenBabel04291915483D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.9801   -0.0316    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146   -0.0316    0.0928 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640   -0.3948    1.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069   -0.3948    1.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0784   -0.0193    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3060   -0.0193    0.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4290    0.3439   -1.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640    0.3315   -0.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4502    0.6747   -1.9779 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462    0.7449   -2.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0563   -0.7579    2.2218 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069   -1.1211    3.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146   -0.7579    2.2218 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4908   -0.7579    2.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9848   -1.2090    3.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1870   -1.5103    4.4273 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3111   -1.2886    3.7775 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234   -0.3573    1.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234   -0.6957   -0.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234    0.9581   -0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1982    0.6818   -1.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8877    1.7530   -2.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8877    0.0992   -2.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6788   -1.4425    4.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474    0.2318    2.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474   -1.4219    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6234   -1.5739    4.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4 11  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 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  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
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 27  1  0  0  0  0
M  END
>  <SKU>
A16822

>  <Product Name>
Theophylline-7-acetic acid

>  <CAS>
652-37-9

>  <M.Wt>
238.2001

>  <Formula>
C9H10N4O4

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/theophylline-7-acetic-acid.html

$$$$
