8914
  DSViewer          3D                             0

 30 29  0  0  0  0  0  0  0  0999 V2000
    0.2666   -0.4473    0.0002 O   0  0  0  0  0  0  0  0  0  1
    6.4542    0.3934    0.0004 C   0  0  0  0  0  0  0  0  0  2
    5.2007   -0.4979   -0.0001 C   0  0  0  0  0  0  0  0  0  3
    7.7112   -0.4930   -0.0002 C   0  0  0  0  0  0  0  0  0  4
    3.9432    0.3878    0.0005 C   0  0  0  0  0  0  0  0  0  5
    8.9652    0.3980    0.0003 C   0  0  0  0  0  0  0  0  0  6
    2.6898   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  7
   10.2231   -0.4887   -0.0002 C   0  0  0  0  0  0  0  0  0  8
    1.4313    0.3811    0.0006 C   0  0  0  0  0  0  0  0  0  9
   11.4785    0.4021    0.0003 C   0  0  0  0  0  0  0  0  0 10
    6.4529    1.0230   -0.8894 H   0  0  0  0  0  0  0  0  0 11
    6.4529    1.0220    0.8909 H   0  0  0  0  0  0  0  0  0 12
    5.2021   -1.1265   -0.8906 H   0  0  0  0  0  0  0  0  0 13
    5.2021   -1.1275    0.8897 H   0  0  0  0  0  0  0  0  0 14
    7.7123   -1.1226    0.8896 H   0  0  0  0  0  0  0  0  0 15
    7.7123   -1.1215   -0.8907 H   0  0  0  0  0  0  0  0  0 16
    3.9417    1.0164    0.8910 H   0  0  0  0  0  0  0  0  0 17
    3.9416    1.0174   -0.8893 H   0  0  0  0  0  0  0  0  0 18
    8.9641    1.0276   -0.8895 H   0  0  0  0  0  0  0  0  0 19
    8.9641    1.0265    0.8908 H   0  0  0  0  0  0  0  0  0 20
    2.6914   -1.1327   -0.8905 H   0  0  0  0  0  0  0  0  0 21
    2.6915   -1.1338    0.8898 H   0  0  0  0  0  0  0  0  0 22
   10.2241   -1.1183    0.8896 H   0  0  0  0  0  0  0  0  0 23
   10.2240   -1.1173   -0.8907 H   0  0  0  0  0  0  0  0  0 24
    1.4296    1.0107   -0.8892 H   0  0  0  0  0  0  0  0  0 25
    1.4297    1.0097    0.8911 H   0  0  0  0  0  0  0  0  0 26
   12.3698   -0.2252   -0.0001 H   0  0  0  0  0  0  0  0  0 27
   11.4779    1.0311    0.8905 H   0  0  0  0  0  0  0  0  0 28
   11.4779    1.0322   -0.8892 H   0  0  0  0  0  0  0  0  0 29
   -0.5430    0.1216    0.0006 H   0  0  0  0  0  0  0  0  0 30
  1  9  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 11  1  0  0  0
  2 12  1  0  0  0
  3  5  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  6  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  7  1  0  0  0
  5 17  1  0  0  0
  5 18  1  0  0  0
  6  8  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7  9  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8 10  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8914

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
52.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
nonan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-nonanol

> <PUBCHEM_IUPAC_NAME>
nonan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
nonan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nonan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZWRUINPWMLAQRD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.3

> <PUBCHEM_EXACT_MASS>
144.151

> <PUBCHEM_MOLECULAR_FORMULA>
C9H20O

> <PUBCHEM_MOLECULAR_WEIGHT>
144.255

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
144.151

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
