9250
  -OEChem-05102413362D

 12 12  0     0  0  0  0  0  0999 V2000
    3.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -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
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1200    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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9250

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgAAAAAAAAAAAAAAAAAABgAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclobutane

> <PUBCHEM_IUPAC_CAS_NAME>
cyclobutane

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclobutane

> <PUBCHEM_IUPAC_NAME>
cyclobutane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclobutane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclobutane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H8/c1-2-4-3-1/h1-4H2

> <PUBCHEM_IUPAC_INCHIKEY>
PMPVIKIVABFJJI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.5

> <PUBCHEM_EXACT_MASS>
56.062600255

> <PUBCHEM_MOLECULAR_FORMULA>
C4H8

> <PUBCHEM_MOLECULAR_WEIGHT>
56.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
56.062600255

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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

$$$$