58771235
  -OEChem-04262405092D

 10  8  0     1  0  0  0  0  0999 V2000
    2.3660    0.9930    0.0000 Rb  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1270    0.0000 C   0  5  3  0  0  0  0  0  0  0  0  0
    3.7320    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -0.4099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
58771235

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
11.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAMAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethane-1,2-diol;rubidium(1+)

> <PUBCHEM_IUPAC_CAS_NAME>
ethane-1,2-diol;rubidium(1+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethane-1,2-diol;rubidium(1+)

> <PUBCHEM_IUPAC_NAME>
ethane-1,2-diol;rubidium(1+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethane-1,2-diol;rubidium(1+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethane-1,2-diol;rubidium(1+)

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H5O2.Rb/c3-1-2-4;/h1,3-4H,2H2;/q-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
RYQIQBITLQBMJK-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
145.94074413

> <PUBCHEM_MOLECULAR_FORMULA>
C2H5O2Rb

> <PUBCHEM_MOLECULAR_WEIGHT>
146.53

> <PUBCHEM_OPENEYE_CAN_SMILES>
C([CH-]O)O.[Rb+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([CH-]O)O.[Rb+]

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
145.94074413

> <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_NONSTANDARDBOND>
1  4  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$