23695970
 OpenBabel05082101102D

  8  5  0  0  0  0  0  0  0  0999 V2000
    3.4641    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  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>
23695970

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
20.9

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQIAOCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;oxidooxy(oxo)borane;hydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
sodium;oxidooxy(oxo)borane;hydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;oxidooxy(oxo)borane;hydrate

>  <PUBCHEM_IUPAC_NAME>
sodium;oxidooxy(oxo)borane;hydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;oxidanidyloxy(oxidanylidene)borane;hydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;keto(oxidooxy)borane;hydrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/BHO3.Na.H2O/c2-1-4-3;;/h3H;;1H2/q;+1;/p-1

>  <PUBCHEM_IUPAC_INCHIKEY>
MDGXUEVTGARGDK-UHFFFAOYSA-M

>  <PUBCHEM_EXACT_MASS>
99.994383

>  <PUBCHEM_MOLECULAR_FORMULA>
BH2NaO4

>  <PUBCHEM_MOLECULAR_WEIGHT>
99.82

>  <PUBCHEM_OPENEYE_CAN_SMILES>
B(=O)O[O-].O.[Na+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
B(=O)O[O-].O.[Na+]

>  <PUBCHEM_CACTVS_TPSA>
50.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
99.994383

>  <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>
3

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
1  3  7

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
