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
    1.2839   -0.2248    1.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -0.2797    0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935   -0.6557   -0.6082 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.7431   -1.8707   -1.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756   -0.9100    0.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    0.6529   -1.6780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244   -0.0354    0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7548   -0.1014   -1.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0294    0.1150   -1.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0251    0.4087   -0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7582    0.4864    0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4499    0.2608    1.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116   -0.4038    2.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5975   -0.0054    2.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8325   -0.2297    0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149    1.4401   -1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0395   -0.3315   -1.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2286    0.0517   -2.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0530    0.5896   -1.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5157    0.7154    1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691    0.3274    2.1383 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