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
    0.9546   -2.2312    0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597   -0.9413    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    0.0445    0.2407 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.5679   -0.8323    0.2682 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860    0.9810    1.6398 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4090    0.9944   -1.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312   -0.3305   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296    1.0600   -0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431    1.6707   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9116    0.9458   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8347   -0.4162   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5965   -1.0412   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1413   -2.9494    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9698   -2.6447    0.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078    1.1688    2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9564    1.8123   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3889    1.6548   -0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086    2.7278   -0.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8838    1.4243   -0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7450   -0.9799   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039   -2.1177    0.0243 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