24434
 OpenBabel05082101102D

  5  3  0  0  0  0  0  0  0  0999 V2000
    0.6160    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
M  CHG  4   1   1   2  -1   3  -1   5   1
M  END
>  <PUBCHEM_COMPOUND_CID>
24434

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
18.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACMAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;nitrate

>  <PUBCHEM_IUPAC_CAS_NAME>
potassium;nitrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;nitrate

>  <PUBCHEM_IUPAC_NAME>
potassium;nitrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;nitrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;nitrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/K.NO3/c;2-1(3)4/q+1;-1

>  <PUBCHEM_IUPAC_INCHIKEY>
FGIUAXJPYTZDNR-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
100.951524

>  <PUBCHEM_MOLECULAR_FORMULA>
KNO3

>  <PUBCHEM_MOLECULAR_WEIGHT>
101.103

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

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

>  <PUBCHEM_CACTVS_TPSA>
62.9

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
100.951524

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
5

>  <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_COORDINATE_TYPE>
1
5
255

$$$$
