23677017
  -OEChem-04242415062D

 15 14  0     0  0  0  0  0  0999 V2000
    2.0000   -2.4050    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23677017

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
71.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiIAAAQAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAACAyBkAAwxoBAAACAACRCQACCAAAgIgAIiAAGbIgIJiKAkZOAMABk0BEIyAewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;4-aminophenolate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;4-aminophenolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;4-aminophenolate

> <PUBCHEM_IUPAC_NAME>
potassium;4-aminophenolate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;4-azanylphenolate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;4-aminophenolate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H7NO.K/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
FWEWPZKKHMLKFC-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
147.00864530

> <PUBCHEM_MOLECULAR_FORMULA>
C6H6KNO

> <PUBCHEM_MOLECULAR_WEIGHT>
147.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1N)[O-].[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1N)[O-].[K+]

> <PUBCHEM_CACTVS_TPSA>
49.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
147.00864530

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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_NONSTANDARDBOND>
1  2  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  5  8
4  6  8
5  8  8
6  9  8
7  8  8
7  9  8

$$$$