Monomers

4-Vinylbenzoic acid

Identifiers

IUPAC name
4-ethenylbenzoic acid
InchI
InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)
InchI Key
IRQWEODKXLDORP-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C(=O)O
Canonical SMILES
C=CC1=CC=C(C=C1)C(=O)O
Isomeric SMILES
C=CC1=CC=C(C=C1)C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
37.3
MolLogP
2.0278
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.5270    0.1303   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6014   -0.7255   -0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1983   -0.4051   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664    0.8088   -0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    1.0531   -0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5860    0.0836    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0589   -1.1528    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2863   -1.3942    0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0337    0.2942    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796   -0.6499    0.4654 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668    1.5311   -0.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821   -0.0970   -0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    1.1235   -0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9425   -1.7197    0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3105    1.6093   -0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1057    2.0317   -0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -1.9393    0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6903   -2.3662    0.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    1.7841    0.2164 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
 11 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers