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
   -1.3703   -0.4473   -1.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820   -0.0518   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1713    0.4532    0.5786 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.0036    1.9133    0.9311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7415    0.2400   -0.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9228   -0.5099    1.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377   -0.0069   -0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8193    0.4284    0.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413    0.4823    1.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    0.1223    0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426   -0.2949   -0.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099   -0.3736   -1.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929   -0.7488   -2.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276   -0.4737   -2.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0446   -0.6887    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828   -0.4368    2.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432    0.7202    1.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    0.8195    2.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2019    0.1618    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820   -0.5929   -1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1783   -0.7156   -2.2405 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