16899
  DSViewer          3D                             0

 27 26  0  0  0  0  0  0  0  0999 V2000
   -0.5604    0.4942    0.0002 O   0  0  0  0  0  0  0  0  0  1
    9.1372    0.7274    0.0001 C   0  0  0  0  0  0  0  0  0  2
    7.8291   -0.0827    0.0002 C   0  0  0  0  0  0  0  0  0  3
   10.3383   -0.2343   -0.0000 C   0  0  0  0  0  0  0  0  0  4
    6.6336    0.8848    0.0003 C   0  0  0  0  0  0  0  0  0  5
   11.6452    0.5795   -0.0001 C   0  0  0  0  0  0  0  0  0  6
    5.3534    0.1035    0.0004 C   0  0  0  0  0  0  0  0  0  7
    4.1881    0.7451    0.0003 C   0  0  0  0  0  0  0  0  0  8
    2.9361   -0.0081    0.0004 C   0  0  0  0  0  0  0  0  0  9
    1.7739    0.6395    0.0003 C   0  0  0  0  0  0  0  0  0 10
    0.5182   -0.1093    0.0003 C   0  0  0  0  0  0  0  0  0 11
    9.1750    1.3554   -0.8900 H   0  0  0  0  0  0  0  0  0 12
    9.1752    1.3553    0.8903 H   0  0  0  0  0  0  0  0  0 13
    7.7895   -0.7106   -0.8899 H   0  0  0  0  0  0  0  0  0 14
    7.7896   -0.7106    0.8903 H   0  0  0  0  0  0  0  0  0 15
   10.3012   -0.8623    0.8901 H   0  0  0  0  0  0  0  0  0 16
   10.3010   -0.8623   -0.8902 H   0  0  0  0  0  0  0  0  0 17
    6.6753    1.5124    0.8904 H   0  0  0  0  0  0  0  0  0 18
    6.6752    1.5125   -0.8898 H   0  0  0  0  0  0  0  0  0 19
   12.4972   -0.1004   -0.0002 H   0  0  0  0  0  0  0  0  0 20
   11.6827    1.2079    0.8898 H   0  0  0  0  0  0  0  0  0 21
   11.6825    1.2079   -0.8900 H   0  0  0  0  0  0  0  0  0 22
    5.3778   -0.9862    0.0004 H   0  0  0  0  0  0  0  0  0 23
    4.1672    1.8349    0.0003 H   0  0  0  0  0  0  0  0  0 24
    2.9542   -1.0980    0.0005 H   0  0  0  0  0  0  0  0  0 25
    1.7580    1.7293    0.0002 H   0  0  0  0  0  0  0  0  0 26
    0.5333   -1.1992    0.0005 H   0  0  0  0  0  0  0  0  0 27
  1 11  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  3  5  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4  6  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  7  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16899

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
134

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAACIAChSgAAAAAAgAAAICAAAAEgIAAIAAQAAAAAAgAAIgYMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
deca-2,4-dienal

> <PUBCHEM_IUPAC_CAS_NAME>
deca-2,4-dienal

> <PUBCHEM_IUPAC_NAME>
deca-2,4-dienal

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
deca-2,4-dienal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
deca-2,4-dienal

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
JZQKTMZYLHNFPL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC=CC=CC=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC=CC=CC=O

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.12

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
2

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  8  1
9  10  1

$$$$
