123361
  -OEChem-05082406002D

 10 10  0     0  0  0  0  0  0999 V2000
    3.8660    0.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265   -0.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -1.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    1.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -0.5185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
123361

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
22.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAIAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclopropanol

> <PUBCHEM_IUPAC_CAS_NAME>
cyclopropanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclopropanol

> <PUBCHEM_IUPAC_NAME>
cyclopropanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopropanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopropanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
YOXHCYXIAVIFCZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
58.041864811

> <PUBCHEM_MOLECULAR_FORMULA>
C3H6O

> <PUBCHEM_MOLECULAR_WEIGHT>
58.08

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
58.041864811

> <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

$$$$