9253
  -OEChem-04252408412D

 15 15  0     0  0  0  0  0  0999 V2000
    2.8090    0.7694    0.0000 C   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
    3.6180    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
    3.2239    1.2302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    1.2302    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
    1.4336   -0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844   -0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    0.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026   -0.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -1.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -1.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -0.8983    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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9253

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
11.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgAAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclopentane

> <PUBCHEM_IUPAC_CAS_NAME>
cyclopentane

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclopentane

> <PUBCHEM_IUPAC_NAME>
cyclopentane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopentane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopentane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2

> <PUBCHEM_IUPAC_INCHIKEY>
RGSFGYAAUTVSQA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3

> <PUBCHEM_EXACT_MASS>
70.078250319

> <PUBCHEM_MOLECULAR_FORMULA>
C5H10

> <PUBCHEM_MOLECULAR_WEIGHT>
70.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCCC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCCC1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
70.078250319

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$