10352
  -OEChem-05072406052D

 17 18  0     1  0  0  0  0  0999 V2000
    3.7147   -0.6783    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9735    0.2877    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2369    1.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -1.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1137   -1.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7328   -1.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595   -0.3322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547    1.8026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    1.3622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636   -1.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -1.8442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    0.2582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142   -0.5338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -1.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9224    0.0652    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
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  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
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10352

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
90.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgAAAAAAAAAAAAAAAAAAAAAYIAAAAgAAAAAAAAAAAAAAAAGAAAAAAADQCAAAAAAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAAAAOAAAAAAAAAAAAAAAAAAAAAQAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_CAS_NAME>
bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_NAME>
bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2

> <PUBCHEM_IUPAC_INCHIKEY>
JFNLZVQOOSMTJK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
94.078250319

> <PUBCHEM_MOLECULAR_FORMULA>
C7H10

> <PUBCHEM_MOLECULAR_WEIGHT>
94.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2CC1C=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2CC1C=C2

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
94.078250319

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  4  3
2  5  3

$$$$