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
    0.4669   -0.6749    2.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1219   -0.5312    0.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5878   -1.5164    0.6656 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.7352   -0.6057    0.2768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432   -2.3865    2.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3725   -2.5813   -0.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    0.3862    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5209    1.1431    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969    2.0244   -0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3598    2.1555   -1.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2491    1.4112   -2.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2116    0.5542   -1.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205   -1.3931    2.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593   -0.1416    2.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910   -3.2166    1.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2088   -2.6827   -1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830    1.1045    1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762    2.5980   -0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590    2.8469   -2.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2425    1.5263   -3.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808   -0.0201   -1.4470 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