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
   -0.6333   -1.6765   -1.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443   -0.9730   -0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7109   -1.3782    0.8737 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8830   -1.9104    2.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7455   -2.5827    0.3807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165   -0.0099    1.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4434    0.0854   -0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600    0.4446   -1.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809    1.4580   -0.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2526    2.0960    0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541    1.7836    1.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656    0.7684    0.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607   -2.4605   -1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260   -1.5024   -2.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6435   -2.2199    0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5672    0.7127    0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892   -0.0454   -2.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.7456   -1.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    2.8939    0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271    2.2807    2.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2504    0.4900    1.7051 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