6763
  -OEChem-04242403302D

 24 26  0     0  0  0  0  0  0999 V2000
    4.6660   -2.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    1.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4421    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    1.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1095    2.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9754    0.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5456    2.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882    2.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6763

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
289

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAGgAAAAAADASAmAAwAIAAAACIAqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCOgAAAAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
phenanthrene-9,10-dione

> <PUBCHEM_IUPAC_CAS_NAME>
phenanthrene-9,10-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
phenanthrene-9,10-dione

> <PUBCHEM_IUPAC_NAME>
phenanthrene-9,10-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phenanthrene-9,10-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phenanthrene-9,10-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

> <PUBCHEM_IUPAC_INCHIKEY>
YYVYAPXYZVYDHN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.5

> <PUBCHEM_EXACT_MASS>
208.052429494

> <PUBCHEM_MOLECULAR_FORMULA>
C14H8O2

> <PUBCHEM_MOLECULAR_WEIGHT>
208.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

> <PUBCHEM_CACTVS_TPSA>
34.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.052429494

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  14  8
11  15  8
12  16  8
13  15  8
14  16  8
3  5  8
3  9  8
4  10  8
4  6  8
5  11  8
6  12  8
9  13  8

$$$$