9161
  -OEChem-05082406562D

 20 22  0     0  0  0  0  0  0999 V2000
    3.8000    0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073    1.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009    1.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9739    2.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6546    1.9789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.3554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  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 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  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
M  END
> <PUBCHEM_COMPOUND_CID>
9161

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
184

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAAAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAEDBUAAAGAAAAAAADACAGAAwAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
acenaphthylene

> <PUBCHEM_IUPAC_CAS_NAME>
acenaphthylene

> <PUBCHEM_IUPAC_NAME_MARKUP>
acenaphthylene

> <PUBCHEM_IUPAC_NAME>
acenaphthylene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
acenaphthylene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acenaphthylene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

> <PUBCHEM_IUPAC_INCHIKEY>
HXGDTGSAIMULJN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
152.062600255

> <PUBCHEM_MOLECULAR_FORMULA>
C12H8

> <PUBCHEM_MOLECULAR_WEIGHT>
152.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C3C(=C1)C=CC3=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C3C(=C1)C=CC3=CC=C2

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.062600255

> <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  2  8
1  3  8
1  4  8
10  12  8
2  7  8
3  8  8
4  10  8
4  9  8
7  11  8
8  12  8
9  11  8

$$$$