13080944
  -OEChem-04242400062D

 22 23  0     0  0  0  0  0  0999 V2000
    5.1350   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368   -0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368    0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  1  0  0  0  0
  2 22  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
13080944

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
227

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASAmAAwDsAAAgCIAiDSCAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYfKyPCOwAADAAAYAACAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxynaphthalene-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-2-naphthalenecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxynaphthalene-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
4-hydroxynaphthalene-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-oxidanylnaphthalene-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-2-naphthoic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H8O3/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6,12H,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
NIOAVQYSSKOCQP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.9

> <PUBCHEM_EXACT_MASS>
188.047344113

> <PUBCHEM_MOLECULAR_FORMULA>
C11H8O3

> <PUBCHEM_MOLECULAR_WEIGHT>
188.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=C(C=C2O)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=C(C=C2O)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
57.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
188.047344113

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
4  10  8
4  5  8
4  6  8
5  11  8
5  7  8
6  9  8
7  8  8
8  9  8

$$$$