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
    1.3821   -1.9880    0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0672   -0.7741    0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973    0.3892   -0.0161 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6548   -0.1991    0.5738 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203    1.8664    0.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637    0.6264   -1.6827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3303   -0.3558    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6196    0.9539   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9174    1.3881   -0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9872    0.5572   -0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7264   -0.7211    0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4134   -1.1537    0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153   -2.2705    0.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6450   -2.7315    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8131    2.4844    0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    0.6319   -2.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587    1.6539   -0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1248    2.3933   -0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0156    0.8782   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5041   -1.4479    0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290   -2.1812    0.7014 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