7628
 OpenBabel05082101102D

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.2690    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4050    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7628

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQIAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
boric acid

>  <PUBCHEM_IUPAC_CAS_NAME>
boric acid

>  <PUBCHEM_IUPAC_NAME_MARKUP>
boric acid

>  <PUBCHEM_IUPAC_NAME>
boric acid

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
boric acid

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
boric acid

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/BH3O3/c2-1(3)4/h2-4H

>  <PUBCHEM_IUPAC_INCHIKEY>
KGBXLFKZBHKPEV-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
62.017524

>  <PUBCHEM_MOLECULAR_FORMULA>
BH3O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
61.84

>  <PUBCHEM_OPENEYE_CAN_SMILES>
B(O)(O)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
B(O)(O)O

>  <PUBCHEM_CACTVS_TPSA>
60.7

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
62.017524

>  <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

$$$$
