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
    1.0663    1.7707    1.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8174    0.6172    0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807   -0.5462    0.3303 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.8133   -1.8131    1.0776 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    0.0455    1.0183 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3187   -0.8286   -1.3108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5024    0.2078    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5978    1.0217    0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478    0.5735   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0322   -0.6449   -0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417   -1.4645   -0.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111   -1.0328   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2955    2.4953    1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0749    2.0152    1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    0.1436    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315   -0.7183   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5289    2.0081    0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7051    1.2206   -0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0204   -0.9624   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0223   -2.4439   -1.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1754   -1.6647   -0.5833 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