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
    1.3993    1.5994   -1.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836    0.5837   -0.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4023   -0.4294    0.0138 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.7035   -0.0604   -0.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1348   -2.0724   -0.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5536   -0.0994    1.6611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127    0.3017   -0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817    1.0184   -0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6974    0.6864   -0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9585   -0.3819    0.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8851   -1.1084    0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982   -0.7699    0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    1.7763   -1.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6939    2.2801   -1.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809   -2.6313    0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6788    0.1802    2.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2037    1.8649   -1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5410    1.2535   -0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9610   -0.6715    0.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0990   -1.9573    1.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2420   -1.3627    0.8864 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