57432007
  -OEChem-04252404192D

 24 19  0     0  0  0  0  0  0999 V2000
    2.2690    2.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.8285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.7546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.7915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.1715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    0.7915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.9815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    5.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8798    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8798    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8798    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  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
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57432007

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
propan-2-ol;tetrahydrate

> <PUBCHEM_IUPAC_CAS_NAME>
2-propanol;tetrahydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
propan-2-ol;tetrahydrate

> <PUBCHEM_IUPAC_NAME>
propan-2-ol;tetrahydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
propan-2-ol;tetrahydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
propan-2-ol;tetrahydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H8O.4H2O/c1-3(2)4;;;;/h3-4H,1-2H3;4*1H2

> <PUBCHEM_IUPAC_INCHIKEY>
FIWLVCBJOZOJOH-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
132.09977361

> <PUBCHEM_MOLECULAR_FORMULA>
C3H16O5

> <PUBCHEM_MOLECULAR_WEIGHT>
132.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)O.O.O.O.O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)O.O.O.O.O

> <PUBCHEM_CACTVS_TPSA>
24.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
132.09977361

> <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>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$