516951
 OpenBabel05082101102D

  8  6  0  0  0  0  0  0  0  0999 V2000
    5.1350   -0.2685    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2315    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
516951

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
61.9

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAIAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACCAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_CAS_NAME>
potassium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_NAME>
potassium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1

>  <PUBCHEM_IUPAC_INCHIKEY>
GNSKLFRGEWLPPA-UHFFFAOYSA-M

>  <PUBCHEM_EXACT_MASS>
135.932777

>  <PUBCHEM_MOLECULAR_FORMULA>
H2KO4P

>  <PUBCHEM_MOLECULAR_WEIGHT>
136.086

>  <PUBCHEM_OPENEYE_CAN_SMILES>
OP(=O)(O)[O-].[K+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
OP(=O)(O)[O-].[K+]

>  <PUBCHEM_CACTVS_TPSA>
80.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
135.932777

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <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  3  7

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
