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
    1.4865    1.0531   -1.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145    0.3098   -0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1697   -0.6909    0.4743 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9831   -0.4898    1.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615   -2.3114    0.0802 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7318   -0.2717   -0.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049    0.3020   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2963    1.0699   -0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681    1.0559   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1392    0.2527    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2444   -0.5214    1.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9025   -0.4940    0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    1.0080   -1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8830    1.6989   -2.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537   -2.6465   -0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8810   -0.6700   -0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0337    1.7296   -1.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    1.6637   -1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2070    0.2141    0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5817   -1.1571    1.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1957   -1.1047    1.4069 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