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
    1.3175   -0.8187   -1.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0484   -0.2805   -0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3398    0.3313    0.3783 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6778    0.2584   -0.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3076   -0.5262    1.8164 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9803    1.9627    0.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3450   -0.1748   -0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4134   -0.6051   -1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400   -0.4981   -0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    0.0691    0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502    0.5107    1.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6519    0.3971    0.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -0.8727   -2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5959   -1.2021   -2.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222   -1.0334    2.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    2.5217   -0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679   -1.0585   -1.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5373   -0.8583   -1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0252    0.1622    0.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1246    0.9699    2.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1765    0.7454    1.5693 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