Monomers

(1-Phenylvinyl)phosphonic acid

Identifiers

IUPAC name
1-phenylethenylphosphonic acid
InchI
InChI=1S/C8H9O3P/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H2,9,10,11)
InchI Key
GSSDUXHQPXODCN-UHFFFAOYSA-N
SMILES
C=C(P(=O)(O)O)c1ccccc1
Canonical SMILES
C=C(C1=CC=CC=C1)P(=O)(O)O
Isomeric SMILES
C=C(C1=CC=CC=C1)P(=O)(O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H9O3P
Heavy Atom Count
12
Molecular Weight
184.131
Exact Molecular Weight
184.0289
Valence Electrons
64
Radical Electrons
0
tPSA
57.53
MolLogP
1.835
H Bond Acceptors
1
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -1.1511   -1.7915   -1.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8786   -0.7120   -0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2186    0.0665    0.5771 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.8788    0.1596    2.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992    1.6263   -0.0597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6361   -0.7994    0.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -0.1587   -0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726    0.9951    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9146    1.5725    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9983    1.0536   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330   -0.0761   -0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5638   -0.6640   -0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1734   -2.1933   -1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -2.2763   -1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1786    1.7063   -0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5265   -1.7716    0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2007    1.4154    1.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0571    2.4658    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9817    1.4792    0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6544   -0.5504   -1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4691   -1.5469   -1.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  3  6  1  0
  2  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers