10341
 OpenBabel05082101102D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.8090   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    1.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
10341

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
93.7

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgMAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAIACAAABACIACDSCAAAAAAAAAAICAAAAEAABAAAIQACEAAAAAAAIYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2H-furan-5-one

>  <PUBCHEM_IUPAC_CAS_NAME>
2H-furan-5-one

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2<I>H</I>-furan-5-one

>  <PUBCHEM_IUPAC_NAME>
2H-furan-5-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2H-furan-5-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2H-furan-5-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2

>  <PUBCHEM_IUPAC_INCHIKEY>
VIHAEDVKXSOUAT-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
-0.6

>  <PUBCHEM_EXACT_MASS>
84.021129

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H4O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
84.07

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1C=CC(=O)O1

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1C=CC(=O)O1

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
84.021129

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
1  3  8
1  6  8
3  4  8
4  5  8
5  6  8

$$$$
