7507
  -OEChem-11242522212D

 22 22  0     0  0  0  0  0  0999 V2000
    3.7321    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 22  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
  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  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7507

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
55.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADQCggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclohexylmethanol

> <PUBCHEM_IUPAC_CAS_NAME>
cyclohexylmethanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclohexylmethanol

> <PUBCHEM_IUPAC_NAME>
cyclohexylmethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclohexylmethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclohexylmethanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
VSSAZBXXNIABDN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
114.104465066

> <PUBCHEM_MOLECULAR_FORMULA>
C7H14O

> <PUBCHEM_MOLECULAR_WEIGHT>
114.19

> <PUBCHEM_SMILES>
C1CCC(CC1)CO

> <PUBCHEM_CONNECTIVITY_SMILES>
C1CCC(CC1)CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
114.104465066

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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

$$$$
