8207
  DSViewer          3D                             0

 42 41  0  0  0  0  0  0  0  0999 V2000
   -0.5179   -0.4397   -0.0002 O   0  0  0  0  0  0  0  0  0  1
    8.1804    0.4169    0.0002 C   0  0  0  0  0  0  0  0  0  2
    6.9258   -0.4729    0.0002 C   0  0  0  0  0  0  0  0  0  3
    9.4357   -0.4720    0.0002 C   0  0  0  0  0  0  0  0  0  4
    5.6686    0.4132    0.0001 C   0  0  0  0  0  0  0  0  0  5
   10.6921    0.4152    0.0001 C   0  0  0  0  0  0  0  0  0  6
    4.4159   -0.4794    0.0002 C   0  0  0  0  0  0  0  0  0  7
   11.9458   -0.4760    0.0002 C   0  0  0  0  0  0  0  0  0  8
    3.1569    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  9
   13.2036    0.4095    0.0001 C   0  0  0  0  0  0  0  0  0 10
    1.9053   -0.4905    0.0000 C   0  0  0  0  0  0  0  0  0 11
   14.4575   -0.4828    0.0001 C   0  0  0  0  0  0  0  0  0 12
    0.6447    0.3918   -0.0002 C   0  0  0  0  0  0  0  0  0 13
   15.7170    0.4023    0.0001 C   0  0  0  0  0  0  0  0  0 14
    8.1801    1.0460   -0.8900 H   0  0  0  0  0  0  0  0  0 15
    8.1802    1.0461    0.8903 H   0  0  0  0  0  0  0  0  0 16
    6.9267   -1.1021   -0.8899 H   0  0  0  0  0  0  0  0  0 17
    6.9267   -1.1019    0.8904 H   0  0  0  0  0  0  0  0  0 18
    9.4352   -1.1010    0.8904 H   0  0  0  0  0  0  0  0  0 19
    9.4352   -1.1011   -0.8899 H   0  0  0  0  0  0  0  0  0 20
    5.6669    1.0423    0.8902 H   0  0  0  0  0  0  0  0  0 21
    5.6670    1.0422   -0.8900 H   0  0  0  0  0  0  0  0  0 22
   10.6931    1.0442   -0.8900 H   0  0  0  0  0  0  0  0  0 23
   10.6931    1.0443    0.8902 H   0  0  0  0  0  0  0  0  0 24
    4.4182   -1.1086   -0.8899 H   0  0  0  0  0  0  0  0  0 25
    4.4181   -1.1084    0.8904 H   0  0  0  0  0  0  0  0  0 26
   11.9443   -1.1051    0.8903 H   0  0  0  0  0  0  0  0  0 27
   11.9443   -1.1052   -0.8899 H   0  0  0  0  0  0  0  0  0 28
    3.1541    1.0334    0.8901 H   0  0  0  0  0  0  0  0  0 29
    3.1543    1.0333   -0.8901 H   0  0  0  0  0  0  0  0  0 30
   13.2052    1.0385   -0.8901 H   0  0  0  0  0  0  0  0  0 31
   13.2052    1.0387    0.8902 H   0  0  0  0  0  0  0  0  0 32
    1.9085   -1.1196   -0.8901 H   0  0  0  0  0  0  0  0  0 33
    1.9084   -1.1195    0.8902 H   0  0  0  0  0  0  0  0  0 34
   14.4556   -1.1119    0.8903 H   0  0  0  0  0  0  0  0  0 35
   14.4556   -1.1120   -0.8900 H   0  0  0  0  0  0  0  0  0 36
    0.6416    1.0208   -0.8904 H   0  0  0  0  0  0  0  0  0 37
    0.6414    1.0209    0.8899 H   0  0  0  0  0  0  0  0  0 38
   16.6054   -0.2291    0.0001 H   0  0  0  0  0  0  0  0  0 39
   15.7193    1.0319    0.8899 H   0  0  0  0  0  0  0  0  0 40
   15.7192    1.0318   -0.8899 H   0  0  0  0  0  0  0  0  0 41
   -1.3290    0.1271   -0.0003 H   0  0  0  0  0  0  0  0  0 42
  1 13  1  0  0  0
  1 42  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  5  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  6  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  7  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  8  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  9  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 10  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 11  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 12  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 13  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 14  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8207

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
91.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tridecan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-tridecanol

> <PUBCHEM_IUPAC_NAME>
tridecan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tridecan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tridecan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
XFRVVPUIAFSTFO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.7

> <PUBCHEM_EXACT_MASS>
200.214

> <PUBCHEM_MOLECULAR_FORMULA>
C13H28O

> <PUBCHEM_MOLECULAR_WEIGHT>
200.361

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
200.214

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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

$$$$
