
 2-(3,4-Dimethoxyphenyl)-1H-indene-1,3(2H)-dione

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.1479   -0.0699    0.7596 C   0  0  0  0  0
    2.2404    0.0235   -0.1439 O   0  0  0  0  0
    2.9667    1.1855   -0.1326 C   0  0  0  0  0
    2.5342    2.4680    0.2310 C   0  0  0  0  0
    3.4453    3.5367    0.1735 C   0  0  0  0  0
    4.7600    3.3732   -0.3063 C   0  0  0  0  0
    5.1606    2.0891   -0.6884 C   0  0  0  0  0
    4.2731    1.0143   -0.6025 C   0  0  0  0  0
    5.6680    4.5883   -0.3998 C   0  0  0  0  0
    7.0563    4.3293   -0.9755 C   0  0  0  0  0
    7.9399    3.6278   -0.5151 O   0  0  0  0  0
    7.1977    5.0734   -2.2258 C   0  0  0  0  0
    8.2531    5.0605   -3.1194 C   0  0  0  0  0
    8.1383    5.8536   -4.2651 C   0  0  0  0  0
    6.9893    6.6377   -4.4874 C   0  0  0  0  0
    5.9358    6.6393   -3.5687 C   0  0  0  0  0
    6.0664    5.8419   -2.4463 C   0  0  0  0  0
    5.1146    5.6443   -1.3561 C   0  0  0  0  0
    4.0644    6.2566   -1.2684 O   0  0  0  0  0
    1.2389    2.6367    0.6448 O   0  0  0  0  0
    0.6544    3.9087    0.3805 C   0  0  0  0  0
    0.2636    0.4271    0.3502 H   0  0  0  0  0
    1.4030    0.3070    1.7557 H   0  0  0  0  0
    0.9005   -1.1309    0.8664 H   0  0  0  0  0
    3.1354    4.5288    0.4950 H   0  0  0  0  0
    6.1653    1.8833   -1.0513 H   0  0  0  0  0
    4.6069    0.0228   -0.9017 H   0  0  0  0  0
    5.8026    5.0498    0.5858 H   0  0  0  0  0
    9.1330    4.4496   -2.9406 H   0  0  0  0  0
    8.9442    5.8637   -4.9972 H   0  0  0  0  0
    6.9207    7.2457   -5.3880 H   0  0  0  0  0
    5.0435    7.2360   -3.7325 H   0  0  0  0  0
   -0.4308    3.8004    0.4702 H   0  0  0  0  0
    0.8712    4.2550   -0.6361 H   0  0  0  0  0
    0.9768    4.6431    1.1250 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 21 33  1  0  0  0
 21 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
2-(3,4-Dimethoxyphenyl)-1H-indene-1,3(2H)-dione

>  <PubChem CID>
310608

>  <Formula>
C17H14O4

>  <Molecular Weight>
282.295000

>  <IUPAC Name>
2-(3,4-dimethoxyphenyl)indene-1,3-dione

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O)OC

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O)OC

>  <InChI Std. ID>
InChI=1S/C17H14O4/c1-20-13-8-7-10(9-14(13)21-2)15-16(18)11-5-3-4-6-12(11)17(15)19/h3-9,15H,1-2H3

>  <InChI Key>
ABMVPHQMDUVUSM-UHFFFAOYSA-N

