15101542
 OpenBabel05082101102D

 30 29  0  0  0  0  0  0  0  0999 V2000
    2.5369   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 30  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
15101542

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
139

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAQAAEgAAIAAKIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-dec-5-enoic acid

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-5-decenoic acid

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-dec-5-enoic acid

>  <PUBCHEM_IUPAC_NAME>
(Z)-dec-5-enoic acid

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-dec-5-enoic acid

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-dec-5-enoic acid

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,2-4,7-9H2,1H3,(H,11,12)/b6-5-

>  <PUBCHEM_IUPAC_INCHIKEY>
UJUXUEKQHBXUEM-WAYWQWQTSA-N

>  <PUBCHEM_XLOGP3_AA>
2.9

>  <PUBCHEM_EXACT_MASS>
170.13068

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H18O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
170.25

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCC=CCCCC(=O)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC/C=C\CCCC(=O)O

>  <PUBCHEM_CACTVS_TPSA>
37.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.13068

>  <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>
1

>  <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

$$$$
