556685
  -OEChem-09031502172D

 17 17  0     1  0  0  0  0  0999 V2000
    2.8660    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
556685

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
76.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAEAIAAQAAQAAEwAAIAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclohex-3-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-cyclohex-3-enol

> <PUBCHEM_IUPAC_NAME>
cyclohex-3-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclohex-3-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclohex-3-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2

> <PUBCHEM_IUPAC_INCHIKEY>
ABZZOPIABWYXSN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
98.073165

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10O

> <PUBCHEM_MOLECULAR_WEIGHT>
98.143

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CC=C1)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(CC=C1)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
98.073165

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
2  1  3

$$$$
