70077
  -OEChem-04242415232D

 15 13  0     0  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70077

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
25.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgIAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADESAgAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;2-methylpropan-2-olate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;2-methyl-2-propanolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;2-methylpropan-2-olate

> <PUBCHEM_IUPAC_NAME>
potassium;2-methylpropan-2-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;2-methylpropan-2-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;2-methylpropan-2-olate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
LPNYRYFBWFDTMA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
112.02904639

> <PUBCHEM_MOLECULAR_FORMULA>
C4H9KO

> <PUBCHEM_MOLECULAR_WEIGHT>
112.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)[O-].[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)[O-].[K+]

> <PUBCHEM_CACTVS_TPSA>
23.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
112.02904639

> <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_COORDINATE_TYPE>
1
5
255

$$$$