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
   -1.5435    1.4391   -1.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549    0.4459   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2166   -0.6633    0.2730 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.8339   -0.7995    1.7376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7982   -0.0910    0.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255   -2.1458   -0.5354 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720    0.2456   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9045   -0.8056    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487   -1.0171    0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1220   -0.1547   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341    0.8852   -0.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2525    1.0937   -1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9528    2.1777   -1.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6420    1.5315   -1.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8556    0.8845    0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8988   -2.8953    0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2102   -1.4622    0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6692   -1.8352    1.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2009   -0.3376   -0.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3227    1.5590   -1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852    1.9449   -1.6221 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