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
    1.1965   -1.0591   -1.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8935   -0.5517   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1786   -0.4660    0.7686 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.7242   -1.1219    2.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467   -1.3181    0.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6025    1.1161    1.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499   -0.0816   -0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4837   -0.1193   -1.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7606    0.3597   -0.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0065    0.8838    0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9853    0.9321    1.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7431    0.4585    1.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5338   -1.1751   -2.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -1.4186   -1.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2097   -0.7086   -0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2771    1.4017    2.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081   -0.5316   -2.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5467    0.3095   -1.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9979    1.2521    0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630    1.3471    2.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0648    0.4911    1.7526 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