
 6-nitroquinolin-8-ol

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.4437    0.6442   -0.0887 C   0  0  0  0  0
   -1.2541    1.3600   -0.0974 C   0  0  0  0  0
   -0.0277    0.6821   -0.0665 C   0  0  0  0  0
    1.1865    1.3912   -0.0747 C   0  0  0  0  0
    2.4002    0.6970   -0.0433 C   0  0  0  0  0
    2.4178   -0.6983   -0.0037 C   0  0  0  0  0
    1.2020   -1.3876    0.0039 C   0  0  0  0  0
   -0.0405   -0.7319   -0.0266 C   0  0  0  0  0
   -1.2048   -1.4180   -0.0184 N   0  0  0  0  0
   -2.3671   -0.7324   -0.0490 C   0  0  0  0  0
    1.2237   -2.7632    0.0429 O   0  0  0  0  0
    3.6657    1.4400   -0.0520 N   0  0  0  0  0
    4.7168    0.7852   -0.0203 O   0  0  0  0  0
    3.6071    2.6770   -0.0904 O   0  0  0  0  0
   -3.4038    1.1468   -0.1121 H   0  0  0  0  0
   -1.2914    2.4466   -0.1285 H   0  0  0  0  0
    1.1735    2.4800   -0.1055 H   0  0  0  0  0
    3.3575   -1.2429    0.0207 H   0  0  0  0  0
   -3.2637   -1.3459   -0.0403 H   0  0  0  0  0
    2.1370   -3.0878    0.0612 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
 10 19  1  0  0  0
 11 20  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
M  CHG  2  12   1  14  -1
M  END

>  <Chemical Name>
6-nitroquinolin-8-ol

>  <PubChem CID>
605332

>  <Formula>
C9H6N2O3

>  <Molecular Weight>
190.158000

>  <IUPAC Name>
6-nitroquinolin-8-ol

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC2=CC(=CC(=C2N=C1)O)[N+](=O)[O-]

>  <Isomeric SMILES>
C1=CC2=CC(=CC(=C2N=C1)O)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C9H6N2O3/c12-8-5-7(11(13)14)4-6-2-1-3-10-9(6)8/h1-5,12H

>  <InChI Key>
BVBQGQLGXJDKLZ-UHFFFAOYSA-N

