
 4-(Dimethylamino)cinnamic acid

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.9699   -1.2886    0.6203 C   0  0  0  0  0
    2.2373   -0.0410    0.4037 N   0  0  0  0  0
    0.9503    0.0544    1.0903 C   0  0  0  0  0
    2.9685    1.1284    0.1601 C   0  0  0  0  0
    2.4344    2.4096    0.3784 C   0  0  0  0  0
    3.1592    3.5840    0.1156 C   0  0  0  0  0
    4.4513    3.5243   -0.4050 C   0  0  0  0  0
    5.0048    2.2646   -0.6310 C   0  0  0  0  0
    4.2725    1.0965   -0.3626 C   0  0  0  0  0
    5.2616    4.7198   -0.6743 C   0  0  0  0  0
    4.7586    5.9060   -1.0478 C   0  0  0  0  0
    5.6634    7.0330   -1.3031 C   0  0  0  0  0
    6.8772    7.0439   -1.2270 O   0  0  0  0  0
    4.9578    8.1213   -1.6490 O   0  0  0  0  0
    3.5399   -1.5805   -0.2676 H   0  0  0  0  0
    2.2840   -2.1201    0.8189 H   0  0  0  0  0
    3.6438   -1.2036    1.4799 H   0  0  0  0  0
    0.4718   -0.9283    1.1703 H   0  0  0  0  0
    0.2487    0.6845    0.5328 H   0  0  0  0  0
    1.0734    0.4473    2.1056 H   0  0  0  0  0
    1.4311    2.5374    0.7730 H   0  0  0  0  0
    2.6882    4.5381    0.3368 H   0  0  0  0  0
    6.0105    2.1669   -1.0342 H   0  0  0  0  0
    4.7593    0.1537   -0.5913 H   0  0  0  0  0
    6.3391    4.5945   -0.5743 H   0  0  0  0  0
    3.7007    6.0853   -1.1892 H   0  0  0  0  0
    5.6432    8.8057   -1.7965 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  2  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 27  1  0  0  0
M  END

>  <Chemical Name>
4-(Dimethylamino)cinnamic acid

>  <PubChem CID>
1540638

>  <Formula>
C11H13NO2

>  <Molecular Weight>
191.230000

>  <IUPAC Name>
(E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)C1=CC=C(C=C1)C=CC(=O)O

>  <Isomeric SMILES>
CN(C)C1=CC=C(C=C1)/C=C/C(=O)O

>  <InChI Std. ID>
InChI=1S/C11H13NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,1-2H3,(H,13,14)/b8-5+

>  <InChI Key>
CQNPVMCASGWEHM-VMPITWQZSA-N

