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
   -1.3430   -1.2489    1.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9975   -0.5580    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580   -0.0721   -0.6066 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5751   -0.7137   -0.2388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8894   -0.5746   -2.1803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4389    1.6207   -0.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821   -0.1973    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997   -0.5608    1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865   -0.1706    0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047    0.5579   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9863    0.9186   -1.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915    0.5418   -0.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.6003    2.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3957   -1.5336    1.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2638    0.1338   -2.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0747    1.8607    0.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136   -1.1275    2.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4943   -0.4573    1.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0157    0.8724   -0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765    1.5012   -2.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1399    0.8075   -1.4820 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