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
   -1.3042    1.7656   -0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9482    0.5176   -0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -0.7470   -0.4279 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.8160   -1.8682   -1.3824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4886   -1.4365    1.0776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6533   -0.1066   -0.9879 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4317    0.2022   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346   -1.1404    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468   -1.4521    0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0363   -0.4922    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451    0.8365    0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4078    1.1669   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6565    2.6206   -0.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3672    1.9713   -0.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517   -0.9221    1.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1256    0.4596   -0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0182   -1.9188    0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -2.4937    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0822   -0.7530    0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5243    1.5732    0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215    2.2169   -0.1974 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