54459
  -OEChem-05102412272D

 27 29  0     1  0  0  0  0  0999 V2000
    4.6660   -0.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3116   -0.0094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5026   -1.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0839    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3981   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808   -0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4808   -1.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    0.9762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    1.6665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824   -1.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3956   -0.2918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4405    0.5971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2892   -2.2082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0472   -1.8707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.2385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.4168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54459

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
267

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAQAAAAA0QAAAAAAAAACRAAAAHgAQAAAACBThkAYxBoLABACgACJiJAQCCAEgIAAJiIA+iIgPZiKEORqXOCKm0BGaqAeAQAAAAAAAAAAAQAAAAAAAAACAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1<I>H</I>-imidazole

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
HPMRFMKYPGXPEP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
204.089877630

> <PUBCHEM_MOLECULAR_FORMULA>
C11H12N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
204.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN=C(N1)C2COC3=CC=CC=C3O2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN=C(N1)C2COC3=CC=CC=C3O2

> <PUBCHEM_CACTVS_TPSA>
42.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.089877630

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

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

$$$$