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
    1.5643   -0.4313   -1.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0163   -0.0194   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511    0.6884    0.7482 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.5880    2.1102    1.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665    0.6878    0.3168 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9007   -0.2243    2.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205   -0.1214   -0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752   -0.6510   -1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6334   -0.7021   -0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254   -0.2351    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2735    0.2934    1.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9348    0.3496    0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6285   -0.3472   -1.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9938   -0.8589   -2.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140    1.4043   -0.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5704   -0.9558    2.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9227   -1.0331   -2.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2963   -1.1331   -1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1723   -0.2767    0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5937    0.6796    2.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457    0.7760    1.6452 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