
 2-Methoxyidazoxan

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.8396   -0.2145   -1.0284 C   0  0  0  0  0
    2.6901    0.2356    0.0148 O   0  0  0  0  0
    3.1980    1.5709   -0.1779 C   0  0  0  0  0
    4.0802    1.8672    1.0459 C   0  0  0  0  0
    4.5853    3.2071    1.0712 O   0  0  0  0  0
    3.6100    4.1131    0.7579 C   0  0  0  0  0
    3.8728    5.4458    1.0707 C   0  0  0  0  0
    2.9201    6.4278    0.7953 C   0  0  0  0  0
    1.7062    6.0751    0.2051 C   0  0  0  0  0
    1.4500    4.7424   -0.1207 C   0  0  0  0  0
    2.4079    3.7634    0.1430 C   0  0  0  0  0
    2.0963    2.4890   -0.2452 O   0  0  0  0  0
    4.0786    1.6438   -1.4710 C   0  0  0  0  0
    5.1219    0.8640   -1.6568 N   0  0  0  0  0
    5.6256    1.2387   -3.0102 C   0  0  0  0  0
    4.5102    2.0477   -3.6784 C   0  0  0  0  0
    3.7654    2.4775   -2.5260 N   0  0  0  0  0
    1.4983   -1.2219   -0.7740 H   0  0  0  0  0
    2.3707   -0.2712   -1.9821 H   0  0  0  0  0
    0.9591    0.4272   -1.1234 H   0  0  0  0  0
    4.9388    1.1869    1.0849 H   0  0  0  0  0
    3.5173    1.6984    1.9743 H   0  0  0  0  0
    4.8163    5.7167    1.5370 H   0  0  0  0  0
    3.1239    7.4657    1.0457 H   0  0  0  0  0
    0.9618    6.8389   -0.0043 H   0  0  0  0  0
    0.5070    4.4701   -0.5860 H   0  0  0  0  0
    6.5353    1.8388   -2.8944 H   0  0  0  0  0
    5.8692    0.3434   -3.5904 H   0  0  0  0  0
    3.8895    1.4070   -4.3131 H   0  0  0  0  0
    4.8949    2.8842   -4.2673 H   0  0  0  0  0
    2.8037    2.7821   -2.6240 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8  9  2  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
M  END

>  <Chemical Name>
2-Methoxyidazoxan

>  <PubChem CID>
108094

>  <Formula>
C12H14N2O3

>  <Molecular Weight>
234.255000

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

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1(COC2=CC=CC=C2O1)C3=NCCN3

>  <Isomeric SMILES>
COC1(COC2=CC=CC=C2O1)C3=NCCN3

>  <InChI Std. ID>
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)

>  <InChI Key>
HQGWKNGAKBPTBX-UHFFFAOYSA-N

