7360
 OpenBabel05082101102D

 17 17  0  0  1  0  0  0  0  0999 V2000
    2.8090   -0.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770   -1.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.2638    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3090    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150   -0.3485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    1.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.5160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887   -0.0235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554    0.5688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -1.2149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7360

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
54

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAACQAAEAAADAACAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrahydrofuran-2-ylmethanol

>  <PUBCHEM_IUPAC_CAS_NAME>
2-oxolanylmethanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
oxolan-2-ylmethanol

>  <PUBCHEM_IUPAC_NAME>
oxolan-2-ylmethanol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxolan-2-ylmethanol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrahydrofurylmethanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2

>  <PUBCHEM_IUPAC_INCHIKEY>
BSYVTEYKTMYBMK-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
-0.1

>  <PUBCHEM_EXACT_MASS>
102.06808

>  <PUBCHEM_MOLECULAR_FORMULA>
C5H10O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
102.13

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(OC1)CO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(OC1)CO

>  <PUBCHEM_CACTVS_TPSA>
29.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
102.06808

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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  7  3

$$$$
