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
   -1.4461   -1.8195    0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554   -0.6403    0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3097    0.5879   -0.0214 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.6450    0.0598    0.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494    2.0589    0.7273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    0.7515   -1.7048 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716   -0.3257    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647   -1.2273    0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973   -0.8974    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    0.3516   -0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773    1.2841   -0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7612    0.9325   -0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897   -2.6407    0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5282   -2.0008    0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235    2.8314    0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9778    0.0228   -2.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1336   -2.2243    0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4728   -1.6445    0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    0.6097   -0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3741    2.2720   -0.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133    1.6583   -0.5125 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