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
    1.2605   -0.6647   -1.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9485   -0.3046   -0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626    0.0753    0.5481 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.2495   -1.0009    1.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    1.6010    1.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7288   -0.0421   -0.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299   -0.2083   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4749   -0.4835   -0.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7728   -0.3757   -0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0137    0.0038    0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643    0.2823    1.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6874    0.1691    1.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3075   -0.7167   -2.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460   -0.9094   -2.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1071    2.2753    0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8429    0.6190   -0.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -0.7834   -2.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5976   -0.5900   -1.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0302    0.0823    1.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024    0.5827    2.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1338    0.3888    1.8141 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