9960
  -OEChem-04242416212D

 14 14  0     1  0  0  0  0  0999 V2000
    3.0878   -1.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.0817    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5878    0.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754   -0.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    0.2106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230    0.6983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7124   -0.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688   -1.4063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2068   -1.4063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4632   -0.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    1.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9960

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
44.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAACQAAFAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrahydrofuran-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-oxolanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxolan-3-ol

> <PUBCHEM_IUPAC_NAME>
oxolan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxolan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrahydrofuran-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2

> <PUBCHEM_IUPAC_INCHIKEY>
XDPCNPCKDGQBAN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.4

> <PUBCHEM_EXACT_MASS>
88.052429494

> <PUBCHEM_MOLECULAR_FORMULA>
C4H8O2

> <PUBCHEM_MOLECULAR_WEIGHT>
88.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCC1O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCC1O

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
88.052429494

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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  2  3

$$$$