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
    1.2155   -1.6083   -1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080   -0.5083   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2015    0.6117    0.0561 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9666    2.0060   -0.5230 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068    0.1067   -0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    0.8146    1.7441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794   -0.2126   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173   -1.0460   -0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8008   -0.6628   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679    0.5150    0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9997    1.3266    0.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209    0.9877    0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850   -1.7910   -1.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -2.3717   -1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.0186   -1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0847    0.4494    2.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3401   -1.9719   -0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6045   -1.3516   -0.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0844    0.7673    0.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2438    2.2605    1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971    1.6600    0.8357 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