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
    1.6693    1.0126   -1.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604    0.5446   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9934    0.3543    1.2198 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.3772    1.2066    2.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9037   -1.2666    1.7493 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175    0.7305    0.9659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.1659   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9197   -0.3157    0.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2536   -0.6992    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0704   -0.6040   -0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5218   -0.1251   -1.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1732    0.2581   -1.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238    1.2666   -1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1183    1.1260   -2.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7134   -1.8438    0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0235   -0.0507    0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2637   -0.3916    1.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6117   -1.0654    1.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1304   -0.8961   -0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1384   -0.0349   -2.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7718    0.6277   -2.3226 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