68126221
  -OEChem-05112418212D

 23 23  0     0  0  0  0  0  0999 V2000
    2.2354    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.1918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    3.1918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    5.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    4.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    3.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    3.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    4.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    3.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.5718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    5.8464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    2.5372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    4.8818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    5.8118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    6.5018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2354    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68126221

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
273

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADAyBmAAwwILAAgCIAiVSUACCAAAhIgAIiACAbMgIZiLAkZGUcAhm1AHI2QeQwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-amino-4-hydroxy-1H-quinolin-2-one;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
3-amino-4-hydroxy-1H-quinolin-2-one;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-amino-4-hydroxy-1<I>H</I>-quinolin-2-one;hydrochloride

> <PUBCHEM_IUPAC_NAME>
3-amino-4-hydroxy-1H-quinolin-2-one;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-azanyl-4-oxidanyl-1H-quinolin-2-one;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-amino-4-hydroxy-carbostyril;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H8N2O2.ClH/c10-7-8(12)5-3-1-2-4-6(5)11-9(7)13;/h1-4H,10H2,(H2,11,12,13);1H

> <PUBCHEM_IUPAC_INCHIKEY>
STYAQROEEBCUIY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
212.0352552

> <PUBCHEM_MOLECULAR_FORMULA>
C9H9ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
212.63

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=C(C(=O)N2)N)O.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=C(C(=O)N2)N)O.Cl

> <PUBCHEM_CACTVS_TPSA>
75.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.0352552

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
13  14  8
4  12  8
4  7  8
6  10  8
6  7  8
6  8  8
7  11  8
8  9  8
9  12  8

$$$$