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
    0.9746   -2.0533    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815   -0.7884    0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151    0.0833    0.0690 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4104   -0.5610    1.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0439   -0.0687   -1.4988 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3339    1.6965    0.4956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4173   -0.1843   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5568    1.1164   -0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672    1.7274   -0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9081    1.0153   -0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8549   -0.2845   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937   -0.8603    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9382   -2.5554    0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328   -2.7101    0.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694   -0.9667   -1.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208    2.2068   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195    1.6909   -0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910    2.7682   -1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8584    1.4940   -0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673   -0.8720    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6256   -1.8941    0.5418 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