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
    1.3668   -0.6587   -1.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957   -0.2409   -0.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2681    0.2266    0.6532 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.0748   -0.4880    1.9515 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2099    1.9087    0.8533 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7962   -0.1541    0.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3977   -0.1398   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843    0.3076    1.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0744    0.4209    1.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0699    0.0744    0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453   -0.3685   -0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022   -0.4770   -1.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584   -0.9433   -2.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4530   -0.7039   -1.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9809    2.3457   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370   -1.1451    0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5742    1.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3839    0.7679    2.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1120    0.1639    0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5290   -0.6363   -1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422   -0.8345   -2.0373 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