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
    1.2662    0.4294    2.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0096    0.1359    0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -0.2115   -0.3941 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6690   -0.0235    0.2063 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    0.8028   -1.7413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121   -1.8021   -0.9613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593    0.0739    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.3268    1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164    0.2684    0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9474   -0.0455   -0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9044   -0.3017   -1.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6107   -0.2446   -1.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    0.6388    2.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2945    0.4846    2.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0608    1.7511   -1.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0985   -2.2415   -1.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3122    0.5803    2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5613    0.4693    1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9719   -0.0954   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0731   -0.5519   -2.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2194   -0.4438   -1.6989 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