178172
  -OEChem-08092309012D

  2  1  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 I  -3  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  ISO  1   1 124
M  END
> <PUBCHEM_COMPOUND_CID>
178172

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
iodane

> <PUBCHEM_IUPAC_CAS_NAME>
iodane

> <PUBCHEM_IUPAC_NAME_MARKUP>
iodane

> <PUBCHEM_IUPAC_NAME>
iodane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
iodane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
iodane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/HI/h1H/i1-3

> <PUBCHEM_IUPAC_INCHIKEY>
XMBWDFGMSWQBCA-OIOBTWANSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
124.91404

> <PUBCHEM_MOLECULAR_FORMULA>
HI

> <PUBCHEM_MOLECULAR_WEIGHT>
124.9142

> <PUBCHEM_OPENEYE_CAN_SMILES>
I

> <PUBCHEM_OPENEYE_ISO_SMILES>
[124IH]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
124.91404

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
1

> <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>
1

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
