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
   -1.3730   -1.4911    1.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0443   -0.6107    0.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245    0.1102   -0.5150 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.6384   -0.5710   -0.2366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9536   -0.0768   -2.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5217    1.7617   -0.1706 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453   -0.2281    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3866   -0.7249    1.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6971   -0.3107    0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0032    0.6066   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652    1.1167   -0.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720    0.7118   -0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4263   -1.7776    1.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6956   -1.9833    2.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361   -0.5881   -2.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2111    2.3273   -0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1937   -1.4572    1.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5188   -0.7150    1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0272    0.9322   -0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789    1.8586   -1.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1634    1.1093   -1.2273 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