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
   -1.0870    0.5516   -2.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8912    0.1359   -0.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081   -0.4132    0.0704 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.4937   -0.5151   -0.8453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978    0.6899    1.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561   -1.9639    0.7211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419    0.1232   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129   -0.3098    1.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480   -0.3456    1.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110    0.0233    0.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8142    0.4446   -0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5803    0.4995   -0.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2814    0.8909   -2.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790    0.5752   -2.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7266    1.5811    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853   -2.2330    1.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677   -0.6110    1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7708   -0.6899    2.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8717   -0.0158    1.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966    0.7465   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5267    0.8356   -2.0105 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