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
    1.1508   -2.0862   -0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844   -0.8013   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962    0.3245   -0.2987 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.1826    1.0824   -1.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2490    1.4016    1.0045 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7490   -0.5384   -0.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -0.2486    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5516   -1.0508    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8363   -0.5279    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0148    0.8221    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.6519    0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6652    1.1193    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1800   -2.3970   -0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -2.7987   -0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.3309    0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0158   -0.7662   -1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4822   -2.1351    0.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -1.1873    0.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9954    1.2645    0.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449    2.7397    0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1836    1.8007   -0.0102 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