125558
  -OEChem-05062401072D

 24 26  0     0  0  0  0  0  0999 V2000
    2.5836    0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0734    0.5523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7455    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9571    1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9571   -1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7455   -1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1017   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1017    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
125558

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
189

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAaIAAAAwAAAAAAAAAGgBAAAAHgAQAAAADCzBmAcwDoBABACAAiBCAAACCAAgIAAAiIAGiIgdJiKEsRugMCIk0BEOqAeQ0LEOoAABAAAQQABAAAIAACCAACAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dihydro-5<I>H</I>-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_NAME>
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
FQDRMHHCWZAXJM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
177.078978594

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
177.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(CC2=CC3=C(C=C21)OCO3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(CC2=CC3=C(C=C21)OCO3)N

> <PUBCHEM_CACTVS_TPSA>
44.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
177.078978594

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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  12  8
11  12  8
7  8  8
7  9  8
8  10  8
9  11  8

$$$$