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
   -1.5868   -0.8543    1.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0736   -0.2306    0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1582    0.6440   -0.6606 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.9638    0.1349   -2.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7463    0.3673   -0.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    2.2808   -0.5321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -0.2431    0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2879   -0.8755    1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474   -0.8591    0.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1318   -0.1894   -0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267    0.4549   -1.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808    0.4302   -0.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -1.3873    2.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6669   -0.8345    1.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9758   -0.5842   -0.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493    2.7466   -1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9469   -1.4209    1.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290   -1.3621    1.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1929   -0.1530   -0.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.9981   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1545    0.9371   -1.5109 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