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
   -1.3337   -1.5408   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0089   -0.5631   -0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969    0.3381    0.4599 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5853   -0.4177    0.2737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4498    1.8996   -0.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741    0.3875    2.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.1728   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6861    0.8850    0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9985    1.2475    0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0536    0.6095    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769   -0.4311   -0.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4525   -0.7935   -0.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6452   -2.1321   -1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3787   -1.7844   -1.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295    1.8325   -1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171    0.2974    2.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    1.4123    1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2651    2.0736    1.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0627    0.9444    0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -0.9365   -1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427   -1.6147   -1.5012 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