57873985
  -OEChem-05062422172D

 10  8  0     0  0  0  0  0  0999 V2000
    6.0010   -0.5600    0.0000 Rf  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0600    0.0000 C   0  4  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  RAD  1   5   2
M  END
> <PUBCHEM_COMPOUND_CID>
57873985

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
11.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H5O2.Rf/c3-1-2-4;/h1,3-4H,2H2;

> <PUBCHEM_IUPAC_INCHIKEY>
NPMYSUKTILJRSY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
328.151

> <PUBCHEM_MOLECULAR_FORMULA>
C2H5O2Rf

> <PUBCHEM_MOLECULAR_WEIGHT>
328.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C([CH]O)O.[Rf]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([CH]O)O.[Rf]

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
328.151

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$