
 3-aminopropylphosphinic acid

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.0390   -0.2936   -0.0318 C   0  0  0  0  0
    0.2303   -1.5837    0.0884 C   0  0  0  0  0
    0.0080   -2.1980   -1.2152 N   0  0  0  0  0
    2.4559   -0.5402   -0.5562 C   0  0  0  0  0
    3.4199    1.0416   -0.6885 P   0  0  0  0  0
    3.7374    1.2381    0.7227 O   0  0  0  0  0
    4.8718    0.4302   -1.0317 O   0  0  0  0  0
    0.5097    0.4138   -0.6835 H   0  0  0  0  0
    1.0857    0.1743    0.9596 H   0  0  0  0  0
   -0.7383   -1.3655    0.5509 H   0  0  0  0  0
    0.7515   -2.2941    0.7390 H   0  0  0  0  0
   -0.5710   -1.5856   -1.7902 H   0  0  0  0  0
   -0.5324   -3.0558   -1.0943 H   0  0  0  0  0
    2.4205   -0.9878   -1.5558 H   0  0  0  0  0
    2.9840   -1.2439    0.0986 H   0  0  0  0  0
    5.3373    0.5091   -0.1687 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  2 11  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 16  1  0  0  0
M  RAD  1   5   2
M  CHG  1   5   1
M  END

>  <Chemical Name>
3-aminopropylphosphinic acid

>  <PubChem CID>
6335948

>  <Formula>
C3H9NO2P+

>  <Molecular Weight>
122.084000

>  <IUPAC Name>
3-aminopropyl-hydroxy-oxophosphanium

>  <XlogP>
-1.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C(CN)C[P+](=O)O

>  <Isomeric SMILES>
C(CN)C[P+](=O)O

>  <InChI Std. ID>
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1

>  <InChI Key>
MQIWYGZSHIXQIU-UHFFFAOYSA-O

