19801
  DSViewer          3D                             0

 29 28  0  0  0  0  0  0  0  0999 V2000
   -0.5435    0.4545    0.0004 O   0  0  0  0  0  0  0  0  0  1
    7.9588   -0.1330    0.0002 C   0  0  0  0  0  0  0  0  0  2
    6.7333    0.7962    0.0002 C   0  0  0  0  0  0  0  0  0  3
    9.2411    0.7172   -0.0001 C   0  0  0  0  0  0  0  0  0  4
    5.4471   -0.0476    0.0004 C   0  0  0  0  0  0  0  0  0  5
   10.4710   -0.2075   -0.0001 C   0  0  0  0  0  0  0  0  0  6
    4.2265    0.8885    0.0003 C   0  0  0  0  0  0  0  0  0  7
   11.7527    0.6453   -0.0004 C   0  0  0  0  0  0  0  0  0  8
    2.9684    0.0725    0.0005 C   0  0  0  0  0  0  0  0  0  9
    1.7843    0.6806    0.0004 C   0  0  0  0  0  0  0  0  0 10
    0.5556   -0.1114    0.0006 C   0  0  0  0  0  0  0  0  0 11
    7.9391   -0.7616    0.8905 H   0  0  0  0  0  0  0  0  0 12
    7.9389   -0.7619   -0.8898 H   0  0  0  0  0  0  0  0  0 13
    6.7548    1.4250    0.8902 H   0  0  0  0  0  0  0  0  0 14
    6.7546    1.4247   -0.8901 H   0  0  0  0  0  0  0  0  0 15
    9.2597    1.3459   -0.8903 H   0  0  0  0  0  0  0  0  0 16
    9.2599    1.3462    0.8899 H   0  0  0  0  0  0  0  0  0 17
    5.4239   -0.6764   -0.8896 H   0  0  0  0  0  0  0  0  0 18
    5.4240   -0.6761    0.8907 H   0  0  0  0  0  0  0  0  0 19
   10.4530   -0.8362    0.8902 H   0  0  0  0  0  0  0  0  0 20
   10.4527   -0.8365   -0.8901 H   0  0  0  0  0  0  0  0  0 21
    4.2513    1.5172    0.8904 H   0  0  0  0  0  0  0  0  0 22
    4.2512    1.5169   -0.8899 H   0  0  0  0  0  0  0  0  0 23
   12.6248   -0.0086   -0.0004 H   0  0  0  0  0  0  0  0  0 24
   11.7712    1.2747    0.8894 H   0  0  0  0  0  0  0  0  0 25
   11.7710    1.2743   -0.8904 H   0  0  0  0  0  0  0  0  0 26
    3.0234   -1.0161    0.0008 H   0  0  0  0  0  0  0  0  0 27
    1.7309    1.7693    0.0001 H   0  0  0  0  0  0  0  0  0 28
    0.6085   -1.2001    0.0009 H   0  0  0  0  0  0  0  0  0 29
  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  8  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  9  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19801

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
105

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAACIAChSgAAAAAAgAAAICAAAAEgAAAIAAQAAAAAAgAAIAYMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dec-2-enal

> <PUBCHEM_IUPAC_CAS_NAME>
2-decenal

> <PUBCHEM_IUPAC_NAME>
dec-2-enal

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dec-2-enal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dec-2-enal

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
MMFCJPPRCYDLLZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCC=CC=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC=CC=O

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.136

> <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>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
9  10  1

$$$$
