70709
  DSViewer          3D                             0

 30 29  0  0  0  0  0  0  0  0999 V2000
   11.0550   -1.4098    0.0004 O   0  0  0  0  0  0  0  0  0  1
   12.3854    0.4424   -0.0002 N   0  0  0  0  0  0  0  0  0  2
    6.1352   -0.2855    0.0004 C   0  0  0  0  0  0  0  0  0  3
    4.8764    0.5995    0.0002 C   0  0  0  0  0  0  0  0  0  4
    7.3831    0.6140    0.0002 C   0  0  0  0  0  0  0  0  0  5
    3.6195   -0.2873    0.0004 C   0  0  0  0  0  0  0  0  0  6
    8.6516   -0.2557    0.0003 C   0  0  0  0  0  0  0  0  0  7
    2.3663    0.6069    0.0002 C   0  0  0  0  0  0  0  0  0  8
    9.8891    0.6587    0.0000 C   0  0  0  0  0  0  0  0  0  9
    1.1047   -0.2750    0.0004 C   0  0  0  0  0  0  0  0  0 10
   11.1350   -0.1753    0.0001 C   0  0  0  0  0  0  0  0  0 11
    6.1389   -0.9144    0.8907 H   0  0  0  0  0  0  0  0  0 12
    6.1389   -0.9148   -0.8896 H   0  0  0  0  0  0  0  0  0 13
    4.8759    1.2288    0.8902 H   0  0  0  0  0  0  0  0  0 14
    4.8759    1.2284   -0.8901 H   0  0  0  0  0  0  0  0  0 15
    7.3756    1.2429   -0.8901 H   0  0  0  0  0  0  0  0  0 16
    7.3757    1.2433    0.8902 H   0  0  0  0  0  0  0  0  0 17
    3.6178   -0.9166   -0.8896 H   0  0  0  0  0  0  0  0  0 18
    3.6178   -0.9162    0.8907 H   0  0  0  0  0  0  0  0  0 19
    8.6627   -0.8845    0.8906 H   0  0  0  0  0  0  0  0  0 20
    8.6626   -0.8849   -0.8897 H   0  0  0  0  0  0  0  0  0 21
    2.3693    1.2362    0.8901 H   0  0  0  0  0  0  0  0  0 22
    2.3693    1.2358   -0.8901 H   0  0  0  0  0  0  0  0  0 23
    9.8744    1.2874   -0.8903 H   0  0  0  0  0  0  0  0  0 24
    9.8746    1.2878    0.8900 H   0  0  0  0  0  0  0  0  0 25
    0.2178    0.3586    0.0002 H   0  0  0  0  0  0  0  0  0 26
    1.1008   -0.9043    0.8904 H   0  0  0  0  0  0  0  0  0 27
    1.1008   -0.9047   -0.8894 H   0  0  0  0  0  0  0  0  0 28
   13.2131   -0.1083   -0.0001 H   0  0  0  0  0  0  0  0  0 29
   12.4481    1.4356   -0.0004 H   0  0  0  0  0  0  0  0  0 30
  1 11  2  0  0  0
  2 11  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5  7  1  0  0  0
  5 16  1  0  0  0
  5 17  1  0  0  0
  6  8  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7  9  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8 10  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 11  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70709

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
102

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACACBgAACAABAAAAIAAEQEAAAAAAAAAAAAAEAAAAAABIAgAAAAAAAEAAAAAEYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
nonanamide

> <PUBCHEM_IUPAC_CAS_NAME>
nonanamide

> <PUBCHEM_IUPAC_NAME>
nonanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
nonanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pelargonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
GHLZUHZBBNDWHW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.9

> <PUBCHEM_EXACT_MASS>
157.147

> <PUBCHEM_MOLECULAR_FORMULA>
C9H19NO

> <PUBCHEM_MOLECULAR_WEIGHT>
157.253

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCC(=O)N

> <PUBCHEM_CACTVS_TPSA>
43.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
157.147

> <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>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
