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
   -1.2318    0.2051    2.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9593    0.0039    0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -0.2695   -0.2448 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5606   -0.5682    0.5835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111    1.0878   -1.2175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717   -1.6121   -1.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101   -0.0024    0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516   -0.1887   -1.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -0.1954   -1.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0220   -0.0224   -0.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186    0.1627    0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5080    0.1657    1.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2303    0.2124    2.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.3737    2.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5438    1.0759   -1.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4041   -1.4093   -2.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1815   -0.3269   -1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044   -0.3434   -2.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353   -0.0307   -1.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    0.2982    1.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4155    0.3159    2.2382 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