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
   -1.1394   -1.5529    1.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9254   -0.7494    0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2253   -0.3813   -0.5641 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5292   -1.0031   -0.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7246   -0.8708   -2.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4309    1.3123   -0.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3711   -0.1260    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4657   -0.3054    1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861    0.3297    0.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    1.1503   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452    1.3574   -0.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5564    0.7256   -0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446   -1.9939    1.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548   -1.7618    2.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.4704   -2.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0600    1.5118   -1.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039   -0.9530    2.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5270    0.1768    1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    1.6719   -0.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576    2.0163   -1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728    0.9160   -1.3799 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