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
    1.4670   -1.2093    1.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674   -0.3835    0.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    0.6525   -0.2540 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6231    0.4666    0.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2883    0.2315   -1.8930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8428    2.2761   -0.0692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.2673    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2976   -1.0137    0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473   -0.9020    0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9883   -0.0049   -0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272    0.7592   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7248    0.6294   -0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229   -1.2841    1.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7971   -1.8278    2.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9834   -0.4680   -2.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071    2.7935   -0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0656   -1.7390    1.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -1.5041    1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167    0.1240   -0.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3122    1.4653   -1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809    1.2056   -1.1778 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