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
   -1.5538    1.5429    0.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232    0.4930    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0789   -0.7942   -0.4790 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.7463   -0.9602   -1.9361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6748   -0.2814   -0.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200   -2.2730    0.2990 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046    0.3251    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.8326   -0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780   -0.9888   -0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769   -0.0681   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6772    1.0650    0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841    1.2430    0.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9627    2.3126    1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6296    1.6472    0.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0264    0.0740   -1.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -2.7700    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356   -1.5836   -0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951   -1.8781   -1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2591   -0.2462   -0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3255    1.8281    0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9366    2.1454    1.1183 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