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
   -1.4570    1.8569    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0363    0.6230   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2882   -0.6692   -0.1658 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.4190   -1.2015   -1.5686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264   -1.9464    0.8769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7609   -0.0216    0.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766    0.2716   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    1.1817   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7400    0.8101   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999   -0.5039   -0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0772   -1.4209   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7559   -1.0633   -0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7308    2.6547    0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5260    2.0627    0.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8221   -1.5858    1.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.2300    1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1731    2.2478    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5107    1.5747   -0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1342   -0.8187   -0.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933   -2.4622   -0.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011   -1.8198   -0.4302 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