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
   -1.2832   -1.0204   -1.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9380   -0.4009   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2336    0.1089    0.6249 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.2103   -0.7097    1.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0396    1.7577    0.9234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7201   -0.1383   -0.1274 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4418   -0.1122   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5002   -0.4397   -0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -0.1445   -0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0720    0.4887    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286    0.8426    1.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7651    0.5355    1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3526   -1.2186   -1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5393   -1.3453   -2.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8986    2.2084    1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6689    0.1484   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289   -0.9465   -1.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -0.4326   -1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0962    0.7306    0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2903    1.3389    2.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0475    0.8055    1.6788 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