11164
  -OEChem-11232512582D

 11 11  0     1  0  0  0  0  0999 V2000
    3.9030   -1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4720    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4030   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646   -0.9104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856   -0.6840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5106    0.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -0.5546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3380    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
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11164

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
35.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAMAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAQAABAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxiran-2-ylmethanol

> <PUBCHEM_IUPAC_CAS_NAME>
2-oxiranylmethanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxiran-2-ylmethanol

> <PUBCHEM_IUPAC_NAME>
oxiran-2-ylmethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxiran-2-ylmethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
oxiran-2-ylmethanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
CTKINSOISVBQLD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.9

> <PUBCHEM_EXACT_MASS>
74.036779430

> <PUBCHEM_MOLECULAR_FORMULA>
C3H6O2

> <PUBCHEM_MOLECULAR_WEIGHT>
74.08

> <PUBCHEM_SMILES>
C1C(O1)CO

> <PUBCHEM_CONNECTIVITY_SMILES>
C1C(O1)CO

> <PUBCHEM_CACTVS_TPSA>
32.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
74.036779430

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
3  5  3

$$$$
