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
   -1.5262   -1.9512    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1232   -0.7187    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3575    0.5424   -0.2280 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.6680   -0.1475   -0.5177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5140    1.4394    1.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0137    1.5206   -1.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905   -0.3928    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -1.2976    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6449   -0.9343    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9910    0.3753   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078    1.3289   -0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876    0.9365   -0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5884   -2.1764    0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533   -2.7942    0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9821    1.0775    1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0742    2.4823   -1.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -2.3427    0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099   -1.6790    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508    0.6394   -0.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2979    2.3674   -0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410    1.7247   -0.3276 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