518682
 OpenBabel05082101102D

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 B   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  2  0  0  0  0
  3  5  2  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
518682

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
34.2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQMAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
oxo(oxoboranyloxy)borane

>  <PUBCHEM_IUPAC_CAS_NAME>
oxo(oxoboranyloxy)borane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
oxo(oxoboranyloxy)borane

>  <PUBCHEM_IUPAC_NAME>
oxo(oxoboranyloxy)borane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxidanylidene(oxidanylideneboranyloxy)borane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
keto(ketoboranyloxy)borane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/B2O3/c3-1-5-2-4

>  <PUBCHEM_IUPAC_INCHIKEY>
JKWMSGQKBLHBQQ-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
70.003354

>  <PUBCHEM_MOLECULAR_FORMULA>
B2O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
69.63

>  <PUBCHEM_OPENEYE_CAN_SMILES>
B(=O)OB=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
B(=O)OB=O

>  <PUBCHEM_CACTVS_TPSA>
43.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
70.003354

>  <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>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
