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
    1.4542    1.8860   -0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633    0.6739   -0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143   -0.6095   -0.3740 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6977   -0.0099   -0.4675 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503   -1.3994    1.1421 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1179   -1.7109   -1.6168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255    0.3755   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237    1.3117   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6463    0.9790    0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9493   -0.3063    0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627   -1.2774    0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6636   -0.9292    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4678    2.0755   -0.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709    2.7138   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2885   -0.6538    1.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236   -2.6595   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1218    2.3292   -0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4200    1.7523    0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9840   -0.5686    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541   -2.2883    0.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1026   -1.6841    0.2721 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