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
    1.5386   -0.3857   -1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100   -0.2087   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535   -0.0144    0.9467 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.8944   -1.1697    1.9295 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    0.0017    0.5164 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7419    1.4739    1.7339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4182   -0.1702   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.0227    0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    0.0651    1.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1359   -0.0758    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391   -0.2642   -1.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2934   -0.3139   -1.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0139   -0.5140   -2.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391   -0.4151   -1.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8428    0.6412   -0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819    1.8333    2.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2295    0.1396    1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6094    0.2191    2.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138   -0.0319    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3788   -0.3727   -1.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9255   -0.4605   -2.3641 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