1091
 OpenBabel05082101102D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.4030    0.2500    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
1091

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
26.3

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
selenous acid

>  <PUBCHEM_IUPAC_CAS_NAME>
selenous acid

>  <PUBCHEM_IUPAC_NAME_MARKUP>
selenous acid

>  <PUBCHEM_IUPAC_NAME>
selenous acid

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
selenous acid

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
selenous acid

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)

>  <PUBCHEM_IUPAC_INCHIKEY>
MCAHWIHFGHIESP-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
129.91692

>  <PUBCHEM_MOLECULAR_FORMULA>
H2O3Se

>  <PUBCHEM_MOLECULAR_WEIGHT>
128.99

>  <PUBCHEM_OPENEYE_CAN_SMILES>
O[Se](=O)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
O[Se](=O)O

>  <PUBCHEM_CACTVS_TPSA>
57.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
129.91692

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
4

>  <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>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
