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
   -1.2494   -0.5851    1.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9396   -0.2809    0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2320    0.1139   -0.5494 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.2441   -0.9175   -1.6441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7350    0.2186    0.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8745    1.6667   -1.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407   -0.2511    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7311    0.0803   -1.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0047    0.1298   -1.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180   -0.1668   -0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818   -0.4978    0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -0.5396    1.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591   -0.8365    2.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -0.5832    2.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8768    1.0690    0.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4585    2.3614   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929    0.3083   -1.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491    0.3819   -2.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0399   -0.1387   -1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5646   -0.7327    1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -0.8000    2.0620 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