4696
 OpenBabel05082101102D

 17 18  0  0  1  0  0  0  0  0999 V2000
    2.0000   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    0.7391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
4696

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
264

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgOAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAEAAAAAAGgAACAAADASwgAMACAAABgCIAiDSCAAACAAgIAAACAAAAEgYFAAAIQACUAABQAAMsQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one

>  <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one

>  <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one

>  <PUBCHEM_IUPAC_NAME>
4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2

>  <PUBCHEM_IUPAC_INCHIKEY>
ZRWPUFFVAOMMNM-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
-1

>  <PUBCHEM_EXACT_MASS>
154.026609

>  <PUBCHEM_MOLECULAR_FORMULA>
C7H6O4

>  <PUBCHEM_MOLECULAR_WEIGHT>
154.12

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1C=C2C(=CC(=O)O2)C(O1)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1C=C2C(=CC(=O)O2)C(O1)O

>  <PUBCHEM_CACTVS_TPSA>
55.8

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.026609

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <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>
6  3  3

$$$$
