24492
  -OEChem-05052413562D

  4  3  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
    2.0000    0.2500    0.0000 O   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
    4.2690   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24492

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQIAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxoborinic acid

> <PUBCHEM_IUPAC_CAS_NAME>
oxoborinic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxoborinic acid

> <PUBCHEM_IUPAC_NAME>
oxoborinic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxidanylideneborinic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ketoborinic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/BHO2/c2-1-3/h2H

> <PUBCHEM_IUPAC_INCHIKEY>
VGTPKLINSHNZRD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
44.0069594

> <PUBCHEM_MOLECULAR_FORMULA>
BHO2

> <PUBCHEM_MOLECULAR_WEIGHT>
43.82

> <PUBCHEM_OPENEYE_CAN_SMILES>
B(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
B(=O)O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
44.0069594

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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

$$$$