59392116
  -OEChem-04252413222D

 13 10  0     0  0  0  0  0  0999 V2000
    2.0000    0.5600    0.0000 Rf  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5600    0.0000 Rf  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59392116

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
20.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAADAAAAACggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroperoxyethanol;rutherfordium

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroperoxyethanol;rutherfordium

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-hydroperoxyethanol;rutherfordium

> <PUBCHEM_IUPAC_NAME>
2-hydroperoxyethanol;rutherfordium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(dioxidanyl)ethanol;rutherfordium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroperoxyethanol;rutherfordium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H6O3.2Rf/c3-1-2-5-4;;/h3-4H,1-2H2;;

> <PUBCHEM_IUPAC_INCHIKEY>
JNCZHIDMSJXFKE-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
612.28

> <PUBCHEM_MOLECULAR_FORMULA>
C2H6O3Rf2

> <PUBCHEM_MOLECULAR_WEIGHT>
612.31

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

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

> <PUBCHEM_CACTVS_TPSA>
49.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
612.28

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  3  6
2  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$