34222
  DSViewer          3D                             0

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.5114   -1.4521    0.0001 N   0  0  0  0  0  0  0  0  0  1
    3.7394    0.6804    0.0002 C   0  0  0  0  0  0  0  0  0  2
    3.7342   -0.7690    0.0003 C   0  0  0  0  0  0  0  0  0  3
    2.4678    1.3724   -0.0001 C   0  0  0  0  0  0  0  0  0  4
    4.8837   -1.4411    0.0005 C   0  0  0  0  0  0  0  0  0  5
    4.8890    1.3528    0.0003 C   0  0  0  0  0  0  0  0  0  6
    6.1552   -0.7120    0.0007 C   0  0  0  0  0  0  0  0  0  7
    1.3457    0.6568   -0.0002 C   0  0  0  0  0  0  0  0  0  8
    6.1576    0.6204    0.0006 C   0  0  0  0  0  0  0  0  0  9
    2.4126    2.8729   -0.0002 C   0  0  0  0  0  0  0  0  0 10
    4.8777   -2.9417    0.0006 C   0  0  0  0  0  0  0  0  0 11
    1.4010   -0.8209   -0.0001 C   0  0  0  0  0  0  0  0  0 12
    4.8859    2.4428    0.0002 H   0  0  0  0  0  0  0  0  0 13
    7.0979   -1.2593    0.0009 H   0  0  0  0  0  0  0  0  0 14
    0.3803    1.1628   -0.0004 H   0  0  0  0  0  0  0  0  0 15
    7.1021    1.1646    0.0007 H   0  0  0  0  0  0  0  0  0 16
    1.3725    3.1988   -0.0004 H   0  0  0  0  0  0  0  0  0 17
    2.9128    3.2553   -0.8900 H   0  0  0  0  0  0  0  0  0 18
    2.9125    3.2555    0.8897 H   0  0  0  0  0  0  0  0  0 19
    5.9037   -3.3096    0.0008 H   0  0  0  0  0  0  0  0  0 20
    4.3627   -3.3035   -0.8893 H   0  0  0  0  0  0  0  0  0 21
    4.3624   -3.3034    0.8905 H   0  0  0  0  0  0  0  0  0 22
    0.4693   -1.3866   -0.0002 H   0  0  0  0  0  0  0  0  0 23
  1  3  1  0  0  0
  1 12  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  6  2  0  0  0
  3  5  2  0  0  0
  4  8  2  0  0  0
  4 10  1  0  0  0
  5  7  1  0  0  0
  5 11  1  0  0  0
  6  9  1  0  0  0
  6 13  1  0  0  0
  7  9  2  0  0  0
  7 14  1  0  0  0
  8 12  1  0  0  0
  8 15  1  0  0  0
  9 16  1  0  0  0
 10 17  1  0  0  0
 10 18  1  0  0  0
 10 19  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
34222

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
155

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAAAAAAADAjBHgQ+wPIIEACgAzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgMAOgAACAAACAAAAAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,8-dimethylquinoline

> <PUBCHEM_IUPAC_CAS_NAME>
4,8-dimethylquinoline

> <PUBCHEM_IUPAC_NAME>
4,8-dimethylquinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,8-dimethylquinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,8-dimethylquinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H11N/c1-8-6-7-12-11-9(2)4-3-5-10(8)11/h3-7H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
DULGUAMZWACUFO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
157.089

> <PUBCHEM_MOLECULAR_FORMULA>
C11H11N

> <PUBCHEM_MOLECULAR_WEIGHT>
157.212

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C=CC=C(C2=NC=C1)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C=CC=C(C2=NC=C1)C

> <PUBCHEM_CACTVS_TPSA>
12.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
157.089

> <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>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  12  8
1  3  8
2  3  8
2  4  8
2  6  8
3  5  8
4  8  8
5  7  8
6  9  8
7  9  8
8  12  8

$$$$
