
 4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.2278    0.6679   -0.3052 C   0  0  0  0  0
   -2.1808   -0.7305    0.3428 C   0  0  0  0  0
   -0.9319   -1.5283   -0.0811 C   0  0  0  0  0
    0.2522   -0.6375   -0.0442 C   0  0  0  0  0
    0.2515    0.7382    0.0058 C   0  0  0  0  0
   -1.0050    1.5348    0.0660 C   0  0  0  0  0
    1.6272    1.1133    0.0203 C   0  0  0  0  0
    2.4078    0.0120   -0.0416 N   0  0  0  0  0
    1.5531   -1.0221   -0.0793 N   0  0  0  0  0
    2.2117    2.4579    0.0962 C   0  0  0  0  0
    3.4033    2.7423    0.0782 O   0  0  0  0  0
    1.3100    3.4673    0.2022 O   0  0  0  0  0
   -3.1453    1.1874   -0.0064 H   0  0  0  0  0
   -2.2692    0.5490   -1.3958 H   0  0  0  0  0
   -3.0815   -1.2958    0.0781 H   0  0  0  0  0
   -2.1857   -0.6137    1.4343 H   0  0  0  0  0
   -1.0675   -1.9055   -1.1015 H   0  0  0  0  0
   -0.7991   -2.3912    0.5802 H   0  0  0  0  0
   -1.1311    1.9212    1.0844 H   0  0  0  0  0
   -0.9571    2.3923   -0.6134 H   0  0  0  0  0
    1.9361   -1.9609   -0.1280 H   0  0  0  0  0
    1.8941    4.2522    0.2422 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  9 21  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid

>  <PubChem CID>
648852

>  <Formula>
C8H10N2O2

>  <Molecular Weight>
166.180000

>  <IUPAC Name>
4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC2=C(C1)C(=NN2)C(=O)O

>  <Isomeric SMILES>
C1CCC2=C(C1)C(=NN2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)

>  <InChI Key>
LWXNHFZBFJMHGU-UHFFFAOYSA-N

