8186
  DSViewer          3D                             0

 34 33  0  0  0  0  0  0  0  0999 V2000
   -0.6233    0.5102   -0.0001 O   0  0  0  0  0  0  0  0  0  1
    6.7478    0.7815    0.0002 C   0  0  0  0  0  0  0  0  0  2
    7.9989   -0.1131    0.0002 C   0  0  0  0  0  0  0  0  0  3
    5.4864   -0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  4
    9.2570    0.7720    0.0005 C   0  0  0  0  0  0  0  0  0  5
    4.2388    0.8011    0.0001 C   0  0  0  0  0  0  0  0  0  6
   10.5112   -0.1187    0.0004 C   0  0  0  0  0  0  0  0  0  7
    2.9740   -0.0743   -0.0001 C   0  0  0  0  0  0  0  0  0  8
   11.7683    0.7692    0.0007 C   0  0  0  0  0  0  0  0  0  9
    1.7286    0.8294    0.0000 C   0  0  0  0  0  0  0  0  0 10
   13.0248   -0.1202    0.0007 C   0  0  0  0  0  0  0  0  0 11
    0.4928   -0.0216   -0.0001 C   0  0  0  0  0  0  0  0  0 12
    6.7514    1.4104    0.8905 H   0  0  0  0  0  0  0  0  0 13
    6.7515    1.4107   -0.8898 H   0  0  0  0  0  0  0  0  0 14
    7.9965   -0.7424    0.8902 H   0  0  0  0  0  0  0  0  0 15
    7.9966   -0.7421   -0.8900 H   0  0  0  0  0  0  0  0  0 16
    5.4815   -0.7276   -0.8902 H   0  0  0  0  0  0  0  0  0 17
    5.4814   -0.7279    0.8901 H   0  0  0  0  0  0  0  0  0 18
    9.2585    1.4012   -0.8896 H   0  0  0  0  0  0  0  0  0 19
    9.2583    1.4009    0.8907 H   0  0  0  0  0  0  0  0  0 20
    4.2448    1.4300    0.8903 H   0  0  0  0  0  0  0  0  0 21
    4.2449    1.4303   -0.8899 H   0  0  0  0  0  0  0  0  0 22
   10.5103   -0.7479    0.8905 H   0  0  0  0  0  0  0  0  0 23
   10.5104   -0.7477   -0.8898 H   0  0  0  0  0  0  0  0  0 24
    2.9670   -0.7032   -0.8903 H   0  0  0  0  0  0  0  0  0 25
    2.9670   -0.7035    0.8900 H   0  0  0  0  0  0  0  0  0 26
   11.7687    1.3984   -0.8893 H   0  0  0  0  0  0  0  0  0 27
   11.7685    1.3981    0.8910 H   0  0  0  0  0  0  0  0  0 28
    1.7363    1.4583    0.8903 H   0  0  0  0  0  0  0  0  0 29
    1.7363    1.4586   -0.8900 H   0  0  0  0  0  0  0  0  0 30
   13.9153    0.5083    0.0009 H   0  0  0  0  0  0  0  0  0 31
   13.0251   -0.7495   -0.8892 H   0  0  0  0  0  0  0  0  0 32
   13.0249   -0.7498    0.8905 H   0  0  0  0  0  0  0  0  0 33
    0.5790   -1.1082   -0.0003 H   0  0  0  0  0  0  0  0  0 34
  1 12  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 13  1  0  0  0
  2 14  1  0  0  0
  3  5  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  4  6  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5  7  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  8  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  9  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 10  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 11  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 12  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 34  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8186

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
89

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAAAIAAgQgAAAAAAAAAAAAAEAAAAAABIAAAAAAAAAAAAAAAEIiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
undecanal

> <PUBCHEM_IUPAC_CAS_NAME>
undecanal

> <PUBCHEM_IUPAC_NAME>
undecanal

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
undecanal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
undecanal

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KMPQYAYAQWNLME-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
170.167

> <PUBCHEM_MOLECULAR_FORMULA>
C11H22O

> <PUBCHEM_MOLECULAR_WEIGHT>
170.292

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCC=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCC=O

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.167

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
