440294
  -OEChem-11060914272D

 22 23  0     1  0  0  0  0  0999 V2000
    4.2690   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -0.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0
  1 21  1  0  0  0  0
  4  2  1  1  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
440294

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
188

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAyQAAAAAAAAACJAAAAGgAACAAADBSgmAIwAIAAAgCAAiBCAAACAAAgAAAIiAAACIgJNiKAERCAcAAkwAEJmAeAwKAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S)-1,2-dihydronaphthalene-1,2-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S)-1,2-dihydronaphthalene-1,2-diol

> <PUBCHEM_IUPAC_NAME>
(1R,2S)-1,2-dihydronaphthalene-1,2-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2S)-1,2-dihydronaphthalene-1,2-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S)-1,2-dihydronaphthalene-1,2-diol

> <PUBCHEM_NIST_INCHI>
InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1

> <PUBCHEM_NIST_INCHIKEY>
QPUHWUSUBHNZCG-VHSXEESVSA-N

> <PUBCHEM_XLOGP3_AA>
0.8

> <PUBCHEM_EXACT_MASS>
162.06808

> <PUBCHEM_MOLECULAR_FORMULA>
C10H10O2

> <PUBCHEM_MOLECULAR_WEIGHT>
162.1852

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(C(C=CC2=C1)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2[C@H]([C@H](C=CC2=C1)O)O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
162.06808

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
3  1  5
10  12  8
11  12  8
4  2  5
5  6  8
5  9  8
6  10  8
9  11  8

$$$$