7923
  -OEChem-11232513272D

  9  9  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
    4.6245    1.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8957    1.2710    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  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7923

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
129

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgMAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAAACAAABACIACDSCAAAAAAAAAAICAAAAEAABAAAIAACEAAAAAAAIYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
furan-2,5-dione

> <PUBCHEM_IUPAC_CAS_NAME>
furan-2,5-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
furan-2,5-dione

> <PUBCHEM_IUPAC_NAME>
furan-2,5-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
furan-2,5-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
furan-2,5-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H

> <PUBCHEM_IUPAC_INCHIKEY>
FPYJFEHAWHCUMM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.1

> <PUBCHEM_EXACT_MASS>
98.000393922

> <PUBCHEM_MOLECULAR_FORMULA>
C4H2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
98.06

> <PUBCHEM_SMILES>
C1=CC(=O)OC1=O

> <PUBCHEM_CONNECTIVITY_SMILES>
C1=CC(=O)OC1=O

> <PUBCHEM_CACTVS_TPSA>
43.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
98.000393922

> <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

$$$$
