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
    1.5014   -1.8291   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -0.6495   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1118    0.5697    0.6777 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.0785    1.7729   -0.2697 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6902   -0.0257    0.8014 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5402    1.0914    2.1643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731   -0.3158   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3014   -1.1939   -0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342   -0.8032   -0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.4546   -0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1331    1.3332   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8199    0.9423    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404   -2.6528   -0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5628   -2.0723   -0.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    0.2685   -0.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    2.0539    2.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753   -2.1883   -1.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3488   -1.4914   -1.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1041    0.7580   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890    2.3276    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169    1.6497    0.5515 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