108094
  -OEChem-10121500352D

 31 33  0     1  0  0  0  0  0999 V2000
    5.4049   -0.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4049    1.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.9077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388    0.0987    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5388    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2709    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2709    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648   -0.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648    1.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388   -1.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0709    0.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0709    1.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3268    1.6813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283    0.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    1.2052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.5339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426    1.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.3365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -1.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1577   -1.0559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1577    2.2533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019   -1.9434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488   -2.1703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758   -1.3234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6066   -0.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6066    1.4316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
108094

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
321

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAQAAAAA0QAAAAAAAAACRAAAAHgAQAAAACAThkAYzDoLABACgACJiJAQCCAEgIAAJiIAuiIgfZiKEORq3OCKm0BGeqAeAQAAAAAAAAAAAQAAAAAAAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

> <PUBCHEM_IUPAC_NAME>
2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-2-imidazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
HQGWKNGAKBPTBX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
234.100442

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
234.25116

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1(COC2=CC=CC=C2O1)C3=NCCN3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1(COC2=CC=CC=C2O1)C3=NCCN3

> <PUBCHEM_CACTVS_TPSA>
52.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
234.100442

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  12  8
11  13  8
12  14  8
13  16  8
14  17  8
16  17  8
6  2  3

$$$$