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
   -1.6053   -1.3367    0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0073   -0.2499    0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9349    1.2811    0.3904 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.2937    2.3457    1.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9460    1.7549   -1.2432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5085    1.0711    0.9176 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947   -0.2727    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    0.9004   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3525    0.8796   -0.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208   -0.2615   -0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -1.4140   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616   -1.3889    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788   -2.3175    0.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670   -1.2781    1.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392    1.3266   -1.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9292    0.2397    0.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4257    1.7986   -0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300    1.8121   -1.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1624   -0.2306   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0851   -2.3284   -0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322   -2.3314    0.4592 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