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
    0.9954    2.1051   -0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8638    0.8789   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559   -0.0637   -0.0111 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.5679    0.8323   -0.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2991   -0.7488    1.5315 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5726   -1.3022   -1.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4507    0.2725   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5127   -1.0601    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7314   -1.6669    0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9251   -1.0218    0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8815    0.2753   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    0.8993   -0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526    2.7117   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703    2.5313   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -0.0786    2.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5587   -1.5126   -1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4206   -1.5879    0.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8028   -2.6992    0.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899   -1.5312    0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857    0.8297   -0.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6309    1.9369   -0.7583 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