
 CID 44323688

 36 35  0  0  0  0  0  0  0  0999 V2000
    1.0000    0.0000    0.0000 C   0  0  0  0  0
    2.9868   -0.2243    0.1909 C   0  0  0  0  0
    3.3086   -0.5760    1.6611 C   0  0  0  0  0
    3.4570   -1.4011   -0.7025 C   0  0  0  0  0
    3.5654    1.0176   -0.2479 O   0  0  0  0  0
    4.9789    1.1646   -0.0430 C   0  0  0  0  0
    5.4295    2.5506   -0.5157 C   0  0  0  0  0
    4.9774    3.6383    0.3983 C   0  0  0  0  0
    5.5207    4.1750    1.5461 C   0  0  0  0  0
    4.7215    5.1681    2.0505 N   0  0  0  0  0
    3.7095    5.2541    1.2196 C   0  0  0  0  0
    3.8166    4.3455    0.2060 N   0  0  0  0  0
    1.0000    0.0000    0.0000 C   0  0  0  0  0
   -0.5528   -0.5043    0.0404 O   0  0  0  0  0
    1.2743    1.7335    0.9260 C   0  0  0  0  0
    1.5052    2.7951    0.3734 O   0  0  0  0  0
    1.1333    1.6564    2.2581 O   0  0  0  0  0
    1.5448    0.4348   -1.6877 O   0  0  0  0  0
    0.1674    1.1572   -0.6294 H   0  0  0  0  0
    0.6734   -0.4319    1.4550 H   0  0  0  0  0
    0.8792   -1.3305   -0.7986 H   0  0  0  0  0
    3.1984    0.2857    2.3227 H   0  0  0  0  0
    4.3484   -0.9068    1.7657 H   0  0  0  0  0
    2.6756   -1.3932    2.0204 H   0  0  0  0  0
    3.3670   -1.1673   -1.7675 H   0  0  0  0  0
    2.8927   -2.3137   -0.4874 H   0  0  0  0  0
    4.5160   -1.6239   -0.5319 H   0  0  0  0  0
    5.5054    0.4074   -0.6318 H   0  0  0  0  0
    5.2294    1.0353    1.0145 H   0  0  0  0  0
    5.0508    2.7400   -1.5274 H   0  0  0  0  0
    6.5248    2.5714   -0.5659 H   0  0  0  0  0
    6.4403    3.8946    2.0433 H   0  0  0  0  0
    2.8716    5.9338    1.2995 H   0  0  0  0  0
    3.1141    4.1747   -0.5030 H   0  0  0  0  0
    1.2791    2.5715    2.5795 H   0  0  0  0  0
    2.2529    1.1138   -1.5214 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 34  1  0  0  0
 13 18  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
M  END

>  <Chemical Name>
CID 44323688

>  <PubChem CID>
44323688

>  <Formula>
C11H18N2O5

>  <Molecular Weight>
258.274000

>  <IUPAC Name>
5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1H-imidazole;oxalic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)OCCC1=CN=CN1.C(=O)(C(=O)O)O

>  <Isomeric SMILES>
CC(C)(C)OCCC1=CN=CN1.C(=O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C9H16N2O.C2H2O4/c1-9(2,3)12-5-4-8-6-10-7-11-8;3-1(4)2(5)6/h6-7H,4-5H2,1-3H3,(H,10,11);(H,3,4)(H,5,6)

>  <InChI Key>
ALSRTXVUQIDLAS-UHFFFAOYSA-N

