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
   -0.7792    2.2189   -0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7807    0.9447   -0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3779    0.1508   -0.1074 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.4360    1.0199   -0.7068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6892   -0.3363    1.4547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3048   -1.2575   -1.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565    0.2229   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6773    0.8086   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8702    0.0991   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7607   -1.2229    0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409   -1.8405    0.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4084   -1.1163    0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1277    2.7993   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7449    2.7519   -0.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7910    0.3963    2.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1258   -1.7730   -0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7962    1.8556   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8223    0.5849   -0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521   -1.8161    0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4571   -2.8862    0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400   -1.6041    0.4055 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