16668
  -OEChem-11232513062D

 22 23  0     0  0  0  0  0  0999 V2000
    2.8660   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16668

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
144

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAAAAAADASAmAIyBsAABACAAiBCAAACCAAgIAAIiAAGCIgMJiKEMRqAMCAkwBEIqAeAwLAOgAABAAAYAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methoxynaphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
1-methoxynaphthalene

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-methoxynaphthalene

> <PUBCHEM_IUPAC_NAME>
1-methoxynaphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methoxynaphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methoxynaphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
NQMUGNMMFTYOHK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.6

> <PUBCHEM_EXACT_MASS>
158.073164938

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10O

> <PUBCHEM_MOLECULAR_WEIGHT>
158.20

> <PUBCHEM_SMILES>
COC1=CC=CC2=CC=CC=C21

> <PUBCHEM_CONNECTIVITY_SMILES>
COC1=CC=CC2=CC=CC=C21

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
158.073164938

> <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>
10  11  8
2  3  8
2  4  8
2  6  8
3  5  8
3  7  8
4  8  8
5  9  8
6  10  8
7  11  8
8  9  8

$$$$
