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
   -1.5352   -1.9045   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0991   -0.6827   -0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3054    0.6469   -0.2045 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.7003    0.1103   -0.2266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1234    1.6346    1.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.5354   -1.6237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3249   -0.3929   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7568    0.9284    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598    1.2577    0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0032    0.2434    0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6265   -1.0719    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797   -1.3744   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5909   -2.0775   -0.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092   -2.7790   -0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7088    1.2880    1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7622    2.4371   -1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    1.6931    0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543    2.3004    0.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    0.4882    0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583   -1.8747    0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0286   -2.4059   -0.1467 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