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
   -1.3738    0.9064   -1.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921    0.3057   -0.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -0.3854    0.5036 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.1257    0.2311    1.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7800   -0.1681   -0.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668   -2.0618    0.5852 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009    0.2008   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7585   -0.4493    0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671   -0.5878    1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712   -0.0709    0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7775    0.5789   -0.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440    0.7081   -0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7050    1.3568   -2.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4343    0.9979   -1.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8755    0.7322   -0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1170   -2.3718    1.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0709   -0.8439    1.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754   -1.1030    2.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1008   -0.1693    0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816    0.9722   -1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    1.2213   -1.9090 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