136143
  -OEChem-04232423352D

 27 27  0     0  0  0  0  0  0999 V2000
    4.8356    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4936   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4936    0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276   -1.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    1.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428   -1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330   -0.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330    0.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366   -1.5430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126   -0.9757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126    0.9757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    1.5430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3493   -1.9937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0786   -1.8652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0786    1.8652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3493    1.9937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0735   -1.5116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7148   -1.8818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7148    1.8818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0735    1.5116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4060   -0.3222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -1.0180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593    1.0180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4060    0.3222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
136143

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
28.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAGAAAAAAACACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclononane

> <PUBCHEM_IUPAC_CAS_NAME>
cyclononane

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclononane

> <PUBCHEM_IUPAC_NAME>
cyclononane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclononane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclononane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H18/c1-2-4-6-8-9-7-5-3-1/h1-9H2

> <PUBCHEM_IUPAC_INCHIKEY>
GPTJTTCOVDDHER-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.1

> <PUBCHEM_EXACT_MASS>
126.140850574

> <PUBCHEM_MOLECULAR_FORMULA>
C9H18

> <PUBCHEM_MOLECULAR_WEIGHT>
126.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCCCCCCC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCCCCCCC1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
126.140850574

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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

$$$$