7612
  -OEChem-05062417062D

 11 11  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
    1.4103    0.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077    0.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446   -1.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734   -1.2710    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  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7612

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
58.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAACAACBCAAAAAAAgAAAICAAAAAgIAAAAAQAAAAAAAAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_CAS_NAME>
cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_NAME>
cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2

> <PUBCHEM_IUPAC_INCHIKEY>
ZSWFCLXCOIISFI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.8

> <PUBCHEM_EXACT_MASS>
66.0469501914

> <PUBCHEM_MOLECULAR_FORMULA>
C5H6

> <PUBCHEM_MOLECULAR_WEIGHT>
66.10

> <PUBCHEM_REFERENCE_STANDARDIZATION>
Bypass - this structure was created from CID 7612

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C=CC=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C=CC=C1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
66.0469501914

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  2  8
1  3  8
2  4  8
3  5  8
4  5  8

$$$$