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
    0.2263   -0.9808    2.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202   -0.2867    1.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656    0.3764    0.8703 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.1237    1.8730    0.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -0.4427   -0.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0187    0.0848    2.2714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945   -0.0807    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831   -0.5503    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7264   -0.3281   -0.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3384    0.4011   -2.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.8835   -2.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    0.6583   -1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -1.4358    2.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -1.1146    2.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594   -0.9246   -0.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8472    0.6523    2.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1152   -1.1246    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7287   -0.7217   -0.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0820    0.5720   -2.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7632    1.4600   -2.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770    1.0291   -1.1656 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