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
    1.3296   -1.8642    0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9396   -0.6562    0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807    0.6029   -0.2449 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9385    1.1964   -1.6322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6781   -0.1609   -0.3115 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1256    1.8286    0.8895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -0.2523    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7907    1.0497   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1160    1.4720   -0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1192    0.5696   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8024   -0.7339    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4651   -1.1466    0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6413   -2.6487    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3796   -2.1212    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -0.6222   -1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9977    1.9527    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160    1.7477   -0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2959    2.5187   -0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1461    0.9105   -0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5960   -1.4718    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2472   -2.1706    0.4968 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