11959971
 OpenBabel05082101102D

 20 22  0  0  1  0  0  0  0  0999 V2000
    4.6660    1.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.7671    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321   -0.2671    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5323   -1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560   -1.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1521   -0.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3202   -1.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1429   -1.3752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.0658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
11959971

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
224

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAGAAAAAAAAAA0QAAABIAAAACRAAAAGgAAAAAADQSAmAAwDoAABACIAiDSCAACCAAgIAAIiAEGCIgMJjKEMRqCOiCkwBEIqAeIzPDOgAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one

>  <PUBCHEM_IUPAC_CAS_NAME>
1a,7b-dihydro-1H-cyclopropa[c][1]benzopyran-2-one

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1<I>a</I>,7<I>b</I>-dihydro-1<I>H</I>-cyclopropa[c]chromen-2-one

>  <PUBCHEM_IUPAC_NAME>
1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8O2/c11-10-8-5-7(8)6-3-1-2-4-9(6)12-10/h1-4,7-8H,5H2

>  <PUBCHEM_IUPAC_INCHIKEY>
BSNSPNHWEMGXBT-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.6

>  <PUBCHEM_EXACT_MASS>
160.052429

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H8O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
160.17

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C1C(=O)OC3=CC=CC=C23

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C1C(=O)OC3=CC=CC=C23

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
160.052429

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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>
10  12  8
11  12  8
3  5  3
4  5  3
6  8  8
6  9  8
8  10  8
9  11  8

$$$$
