
 4'-Aminopropiophenone

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.2163    1.0688    0.3688 C   0  0  0  0  0
    2.5267    1.8402    0.3881 C   0  0  0  0  0
    3.6688    1.0512   -0.2287 C   0  0  0  0  0
    3.5124   -0.0774   -0.6911 O   0  0  0  0  0
    5.0267    1.6765   -0.2750 C   0  0  0  0  0
    5.2808    2.9597    0.2208 C   0  0  0  0  0
    6.5727    3.4963    0.1531 C   0  0  0  0  0
    7.6165    2.7856   -0.4439 C   0  0  0  0  0
    7.3719    1.4827   -0.8798 C   0  0  0  0  0
    6.0851    0.9385   -0.8184 C   0  0  0  0  0
    8.9245    3.2774   -0.3904 N   0  0  0  0  0
    0.4175    1.6633    0.8227 H   0  0  0  0  0
    1.3038    0.1306    0.9269 H   0  0  0  0  0
    0.9195    0.8231   -0.6563 H   0  0  0  0  0
    2.7799    2.0752    1.4274 H   0  0  0  0  0
    2.3953    2.7704   -0.1748 H   0  0  0  0  0
    4.5012    3.5614    0.6769 H   0  0  0  0  0
    6.7572    4.4815    0.5746 H   0  0  0  0  0
    8.1817    0.8743   -1.2748 H   0  0  0  0  0
    5.9183   -0.0732   -1.1851 H   0  0  0  0  0
    9.5442    2.8712   -1.0850 H   0  0  0  0  0
    8.9847    4.2906   -0.3719 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  7  8  2  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
 10 20  1  0  0  0
 11 21  1  0  0  0
 11 22  1  0  0  0
M  END

>  <Chemical Name>
4'-Aminopropiophenone

>  <PubChem CID>
6270

>  <Formula>
C9H11NO

>  <Molecular Weight>
149.193000

>  <IUPAC Name>
1-(4-aminophenyl)propan-1-one

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(=O)C1=CC=C(C=C1)N

>  <Isomeric SMILES>
CCC(=O)C1=CC=C(C=C1)N

>  <InChI Std. ID>
InChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3

>  <InChI Key>
FSWXOANXOQPCFF-UHFFFAOYSA-N

