5463800
  -OEChem-04262420442D

 22 23  0     0  0  0  0  0  0999 V2000
    6.3961    2.0668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188   -0.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    2.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    0.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    1.7589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 13  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5463800

> <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>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASAmAAwDsAAAgCIAiDSCAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYeIyPCOoAADAAAQAABAAAYAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-hydroxynaphthalene-1-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
6-hydroxy-1-naphthalenecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-hydroxynaphthalene-1-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
6-hydroxynaphthalene-1-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-oxidanylnaphthalene-1-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-hydroxy-1-naphthoic acid

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

> <PUBCHEM_IUPAC_INCHIKEY>
JCJUKCIXTRWAQY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.7

> <PUBCHEM_EXACT_MASS>
188.047344113

> <PUBCHEM_MOLECULAR_FORMULA>
C11H8O3

> <PUBCHEM_MOLECULAR_WEIGHT>
188.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=CC(=C2)O)C(=C1)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=CC(=C2)O)C(=C1)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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$