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
   -0.9517   -2.0458   -0.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8776   -0.8267   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3768    0.0814    0.0671 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5801   -0.7201   -0.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432    0.3153    1.7537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3714    1.5961   -0.6733 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4150   -0.2265    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4566    1.0726    0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537    1.6940    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8539    1.0582    0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532   -0.2240    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297   -0.8318   -0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1361   -2.7028   -0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9424   -2.4768   -0.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7094   -0.5986    2.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8058    1.5851   -1.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4715    1.5862    0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7098    2.7136    1.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960    1.5796    0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7592   -0.7691   -0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6391   -1.8599   -0.6080 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