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
   -1.6649   -1.4362    0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495   -0.4038    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0758    0.9538   -0.2942 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.6541    2.2460    0.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6974    0.6846    0.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727    1.0852   -1.9567 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780   -0.2751    0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362    0.8375   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3018    0.9935   -0.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017   -0.0164   -0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076   -1.1640    0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150   -1.2696    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857   -2.2623    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7356   -1.4933    0.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7734    0.3071    0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4081    1.7571   -2.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3061    1.6535   -0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7244    1.8712   -1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1754    0.0722   -0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709   -1.9481    0.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9003   -2.1927    1.0525 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