
 24090-38-8

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.1966    0.0171    0.0664 C   0  0  0  0  0
   -0.6250    1.2678    0.0138 C   0  0  0  0  0
    1.0823    1.1897   -0.0274 S   0  0  0  0  0
    1.0783   -0.5244    0.0212 C   0  0  0  0  0
   -0.2132   -1.0155    0.0713 C   0  0  0  0  0
    2.2861   -1.3079    0.0055 C   0  0  0  0  0
    3.6120   -0.9031   -0.0457 C   0  0  0  0  0
    4.4161   -2.0686   -0.0531 C   0  0  0  0  0
    3.5454   -3.1315   -0.0039 C   0  0  0  0  0
    2.2621   -2.6830    0.0376 O   0  0  0  0  0
    3.7325   -4.6040    0.0088 C   0  0  0  0  0
    3.7858   -5.1443    1.4319 C   0  0  0  0  0
    3.9634   -6.6343    1.4188 C   0  0  0  0  0
    4.4469   -7.3108    0.5271 O   0  0  0  0  0
    3.5580   -7.2065    2.5688 O   0  0  0  0  0
   -2.2661   -0.1510    0.0984 H   0  0  0  0  0
   -1.1262    2.2260   -0.0029 H   0  0  0  0  0
   -0.4418   -2.0744    0.1071 H   0  0  0  0  0
    3.9616    0.1194   -0.0803 H   0  0  0  0  0
    5.4951   -2.1242   -0.0944 H   0  0  0  0  0
    4.6559   -4.8547   -0.5278 H   0  0  0  0  0
    2.9152   -5.0835   -0.5450 H   0  0  0  0  0
    2.8537   -4.9025    1.9564 H   0  0  0  0  0
    4.6204   -4.7039    1.9894 H   0  0  0  0  0
    3.7379   -8.1616    2.4405 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  5 18  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 11 22  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 25  1  0  0  0
M  END

>  <Chemical Name>
24090-38-8

>  <PubChem CID>
709558

>  <Formula>
C11H10O3S

>  <Molecular Weight>
222.258000

>  <IUPAC Name>
3-(5-thiophen-2-ylfuran-2-yl)propanoic acid

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CSC(=C1)C2=CC=C(O2)CCC(=O)O

>  <Isomeric SMILES>
C1=CSC(=C1)C2=CC=C(O2)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C11H10O3S/c12-11(13)6-4-8-3-5-9(14-8)10-2-1-7-15-10/h1-3,5,7H,4,6H2,(H,12,13)

>  <InChI Key>
ADIPPCCQUCTDJD-UHFFFAOYSA-N

