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
    1.4441   -1.1438    1.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.5505    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0995   -0.2178   -0.9771 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.5350   -0.9417   -2.2007 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370    1.4376   -1.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5975   -0.8952   -0.6343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4022   -0.1654    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3326   -0.3821    1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6389    0.0126    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0778    0.6447   -0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1265    0.8582   -1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8213    0.4690   -0.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8575   -1.3885    2.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -1.4169    1.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8676    1.9885   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3416   -0.2502   -0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -0.8752    2.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3937   -0.1629    1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1156    0.9628   -0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4357    1.3592   -1.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886    0.6576   -1.6894 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