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
    0.0537    2.1432   -0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842    1.0244   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1663    0.7226   -0.3195 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.5097    0.5006    1.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472   -0.6677   -1.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0025    2.0487   -0.9550 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5436   -0.0002    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -1.1731    0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8150   -2.1776    1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758   -1.9962    1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7643   -0.8579    0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8913    0.1249    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7023    2.8652   -1.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992    2.3886   -0.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6365   -0.4284   -2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6302    2.3600   -0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877   -1.2881    0.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345   -3.0652    1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878   -2.8013    1.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356   -0.7351    0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3575    1.0122   -0.3091 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