232703
 OpenBabel05082101102D

 28 30  0  0  1  0  0  0  0  0999 V2000
    6.3306    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6830    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7740   -0.8540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737   -2.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9486   -1.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
232703

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
228

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAEiQAAAAAAAAwAAAABIAAAAAAAAAAGgAAAAAADVSggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAHA4PwOgAAAAAAAAADAAAIAABAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

>  <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-4-(2-methyl-2-oxiranyl)-7-oxabicyclo[4.1.0]heptane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

>  <PUBCHEM_IUPAC_NAME>
1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
RBHIUNHSNSQJNG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.1

>  <PUBCHEM_EXACT_MASS>
168.11503

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
168.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC(CC1O2)C3(CO3)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC12CCC(CC1O2)C3(CO3)C

>  <PUBCHEM_CACTVS_TPSA>
25.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
168.11503

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <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>
3  11  3
4  6  3
5  9  3
7  12  3

$$$$
