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
   -0.9478   -2.0217    1.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763   -0.9230    0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4195   -0.2182   -0.1187 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5549   -1.1483    0.2046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3800    0.1100   -1.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6878    1.2070    0.7448 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883   -0.2999    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198   -0.7634    0.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7929   -0.1001    0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.0295   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5186    1.5420   -0.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.8528   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -2.4810    1.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0563   -2.4651    1.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7029    0.9981   -2.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8097    1.5447    1.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6903   -1.6627    1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7206   -0.5212    0.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6156    1.5712   -0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630    2.4404   -1.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5573    1.3092   -0.9770 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