66706391
  -OEChem-04252403392D

 16 14  0     0  0  0  0  0  0999 V2000
    4.8059    2.4050    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.8059    2.4050    0.0000 F   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4 11  3  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
66706391

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
129

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiIQAAQAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAACAAADASBmAAwBoAAAgCQBiBCAAAiAAAgIAAIiAAGCIgIpiKCERKAcAAkwBEImA+AwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;4-hydroxybenzonitrile;fluoride

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;4-hydroxybenzonitrile;fluoride

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;4-hydroxybenzonitrile;fluoride

> <PUBCHEM_IUPAC_NAME>
potassium;4-hydroxybenzonitrile;fluoride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;4-oxidanylbenzenecarbonitrile;fluoride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;4-hydroxybenzonitrile;fluoride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H5NO.FH.K/c8-5-6-1-3-7(9)4-2-6;;/h1-4,9H;1H;/q;;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
XCZXJESGUQTYRR-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
176.99922343

> <PUBCHEM_MOLECULAR_FORMULA>
C7H5FKNO

> <PUBCHEM_MOLECULAR_WEIGHT>
177.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C#N)O.[F-].[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C#N)O.[F-].[K+]

> <PUBCHEM_CACTVS_TPSA>
44

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
176.99922343

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  7  8
5  8  8
6  10  8
6  9  8
7  9  8
8  10  8

$$$$