
 CHEMBL2146992

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.3615   -0.0420    1.1452 C   0  0  0  0  0
    2.9712   -0.0823    0.0165 P   0  0  0  0  0
    2.3328    1.2698   -0.1175 O   0  0  0  0  0
    3.4117   -0.9433   -1.4518 C   0  0  0  0  0
    3.9600   -0.2369   -2.5309 C   0  0  0  0  0
    4.3342   -0.9053   -3.6921 C   0  0  0  0  0
    4.1686   -2.2798   -3.8081 C   0  0  0  0  0
    3.6177   -2.9824   -2.7426 C   0  0  0  0  0
    3.2412   -2.3311   -1.5699 C   0  0  0  0  0
    3.4598   -4.3296   -2.8851 O   0  0  0  0  0
    4.8678   -0.1660   -4.7052 O   0  0  0  0  0
    1.9411   -1.0421    0.8183 O   0  0  0  0  0
    4.7427   -1.0507    1.3255 H   0  0  0  0  0
    4.0619    0.3904    2.1036 H   0  0  0  0  0
    5.1699    0.5649    0.7292 H   0  0  0  0  0
    4.0891    0.8422   -2.4668 H   0  0  0  0  0
    4.4549   -2.8145   -4.7077 H   0  0  0  0  0
    2.8105   -2.8851   -0.7401 H   0  0  0  0  0
    3.0118   -4.6763   -2.0954 H   0  0  0  0  0
    5.0423   -0.7549   -5.4586 H   0  0  0  0  0
    1.3874   -0.5214    1.4344 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2 12  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 18  1  0  0  0
 10 19  1  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2146992

>  <PubChem CID>
66560366

>  <Formula>
C7H9O4P

>  <Molecular Weight>
188.119000

>  <IUPAC Name>
(3,5-dihydroxyphenyl)-methylphosphinic acid

>  <XlogP>
-0.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CP(=O)(C1=CC(=CC(=C1)O)O)O

>  <Isomeric SMILES>
CP(=O)(C1=CC(=CC(=C1)O)O)O

>  <InChI Std. ID>
InChI=1S/C7H9O4P/c1-12(10,11)7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3,(H,10,11)

>  <InChI Key>
KANVIORDKVKQHX-UHFFFAOYSA-N

