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
    1.4171    1.4976   -1.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.5282   -0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3553   -0.4776    0.2932 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6783    0.2152    0.1372 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -1.9586   -0.4998 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834   -0.6901    1.9474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445    0.2424   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256    1.0230   -0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6711    0.7376   -0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0044   -0.3195    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0348   -1.1211    0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203   -0.8231    0.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4684    1.6846   -1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313    2.1421   -1.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759   -2.1173   -0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5752    0.0979    2.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562    1.8765   -1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4316    1.3728   -0.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0603   -0.5327    0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3425   -1.9370    1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0496   -1.4408    1.0829 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