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
   -1.4163   -1.7835    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9932   -0.6017   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.6241   -0.7770 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.9059    0.8550   -2.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7403    0.1274   -0.5419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9644    2.0904    0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4225   -0.2835   -0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -1.1525    0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7369   -0.8375    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1193    0.4082   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826    1.3114   -0.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8476    0.9752   -0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -2.5543    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056   -1.9737    0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9029   -0.7960   -0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7178    2.6713   -0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1479   -2.1443    0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802   -1.5640    0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787    0.6490   -0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    2.2936   -0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1003    1.6855   -0.9301 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