
 CHEMBL503030

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.2431   -1.3117   -0.0215 C   0  0  0  0  0
   -2.1465   -0.0295   -0.0917 C   0  0  0  0  0
   -1.2986    1.1782   -0.0891 O   0  0  0  0  0
   -0.0517    0.6890   -0.0357 C   0  0  0  0  0
    1.2077    1.2101   -0.0073 C   0  0  0  0  0
    2.0056    0.0781    0.0477 N   0  0  0  0  0
    1.3194   -1.1034    0.0558 N   0  0  0  0  0
    0.0659   -0.6784    0.0035 C   0  0  0  0  0
    1.7441    2.5258   -0.0230 C   0  0  0  0  0
    2.9278    2.8266    0.0081 O   0  0  0  0  0
    0.7885    3.4713   -0.0780 O   0  0  0  0  0
   -1.3974   -1.9449   -0.8995 H   0  0  0  0  0
   -1.4567   -1.8882    0.8829 H   0  0  0  0  0
   -2.8199    0.0257    0.7706 H   0  0  0  0  0
   -2.7463   -0.0207   -1.0085 H   0  0  0  0  0
    3.0201    0.0515    0.0817 H   0  0  0  0  0
    1.2828    4.3144   -0.0829 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 16  1  0  0  0
  7  8  2  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 17  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL503030

>  <PubChem CID>
135412913

>  <Formula>
C6H6N2O3

>  <Molecular Weight>
154.125000

>  <IUPAC Name>
5,6-dihydro-2H-furo[3,2-c]pyrazole-3-carboxylic acid

>  <XlogP>
0.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC2=C(NN=C21)C(=O)O

>  <Isomeric SMILES>
C1COC2=C(NN=C21)C(=O)O

>  <InChI Std. ID>
InChI=1S/C6H6N2O3/c9-6(10)4-5-3(7-8-4)1-2-11-5/h1-2H2,(H,7,8)(H,9,10)

>  <InChI Key>
OYBLGJJZUPBHEJ-UHFFFAOYSA-N

