6734
  -OEChem-05101616232D

 22 24  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
    4.3009    1.4697    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
    4.6660    0.5454    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
    3.8000   -0.9546    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
    2.0000    0.0662    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
    2.9061   -1.4893    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
    4.9025    1.6196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2315    2.0858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010    2.1022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7121    1.6628    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
    1.4643    0.3783    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
    6.0690   -1.2646    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
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 22  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6734

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
155

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGDBUAAAGAAAAAAADACAGAAwAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOgAACAAAQAAAAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2-dihydroacenaphthylene

> <PUBCHEM_IUPAC_CAS_NAME>
1,2-dihydroacenaphthylene

> <PUBCHEM_IUPAC_NAME>
1,2-dihydroacenaphthylene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-dihydroacenaphthylene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acenaphthene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2

> <PUBCHEM_IUPAC_INCHIKEY>
CWRYPZZKDGJXCA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.9

> <PUBCHEM_EXACT_MASS>
154.07825

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10

> <PUBCHEM_MOLECULAR_WEIGHT>
154.2078

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=CC=CC3=C2C1=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=CC=CC3=C2C1=CC=C3

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.07825

> <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  4  8
1  5  8
1  6  8
10  11  8
4  7  8
5  8  8
6  10  8
6  9  8
7  12  8
8  11  8
9  12  8

$$$$
