7922
 OpenBabel05082101102D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.7601   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    0.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    1.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    1.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    0.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7922

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
102

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAAACAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABAAAAACAAAEAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrahydrofuran-2,5-dione

>  <PUBCHEM_IUPAC_CAS_NAME>
oxolane-2,5-dione

>  <PUBCHEM_IUPAC_NAME_MARKUP>
oxolane-2,5-dione

>  <PUBCHEM_IUPAC_NAME>
oxolane-2,5-dione

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxolane-2,5-dione

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrahydrofuran-2,5-quinone

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2

>  <PUBCHEM_IUPAC_INCHIKEY>
RINCXYDBBGOEEQ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
-0.5

>  <PUBCHEM_EXACT_MASS>
100.016044

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H4O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
100.07

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=O)OC1=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(=O)OC1=O

>  <PUBCHEM_CACTVS_TPSA>
43.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
100.016044

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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

$$$$
