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
    1.2765    1.7351   -1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920    0.6396   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423   -0.3635    0.2304 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6329    0.2169   -0.2748 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3346   -0.2124    1.9226 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1555   -1.9801   -0.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985    0.2413   -0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4571    0.9668   -0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761    0.5590   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0064   -0.5955    0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9542   -1.3374    0.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6656   -0.9308    0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5055    2.3597   -1.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3415    1.9811   -1.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683    0.5849    2.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7866   -2.2114   -0.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488    1.8839   -1.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172    1.1454   -0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0456   -0.9107    0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338   -2.2619    1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1675   -1.5101    0.9220 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