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
   -1.3277   -1.5823   -0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9432   -0.5039   -0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2290    0.6238    0.2530 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.9699    2.0052   -0.3163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7376    0.1003   -0.2317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0741    0.7385    1.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4580   -0.1756   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4997   -0.9598   -0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179   -0.6059   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378    0.5481    0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0997    1.3478    0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7989    1.0041    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3728   -1.7820   -1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131   -2.2824   -1.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380   -0.8144    0.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9814    0.7123    2.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769   -1.8807   -1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029   -1.2500   -0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1696    0.8393    0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410    2.2758    1.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0156    1.6416    0.9119 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