1548870
  -OEChem-04282423352D

 23 24  0     0  0  0  0  0  0999 V2000
    2.9176   -1.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574   -1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.4096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.5878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413   -1.2563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -2.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -2.3229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1548870

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
208

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAAAAAADAyhngIyxvIIFACoAyxyxASCiCAnYiAImCG3bNgOJvLEtbuFMShkwBHY6YeYyLCOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-methoxyquinoline-2-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
8-methoxy-2-quinolinecarboxaldehyde

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-methoxyquinoline-2-carbaldehyde

> <PUBCHEM_IUPAC_NAME>
8-methoxyquinoline-2-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-methoxyquinoline-2-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-methoxyquinaldaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H9NO2/c1-14-10-4-2-3-8-5-6-9(7-13)12-11(8)10/h2-7H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
WXFAZCYUMXZXBA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
187.063328530

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
187.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC2=C1N=C(C=C2)C=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC2=C1N=C(C=C2)C=O

> <PUBCHEM_CACTVS_TPSA>
39.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
187.063328530

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
11  12  8
3  12  8
3  5  8
4  5  8
4  7  8
4  8  8
5  6  8
6  9  8
7  10  8
8  11  8
9  10  8

$$$$
