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
   -3.4954    0.5640   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6925   -0.2114    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2450   -0.1177    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869    0.7713   -0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084    0.8215   -0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716   -0.0287    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9299   -0.9273    0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4505   -0.9726    0.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0245    0.0370   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830    0.8765   -0.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8504   -0.7857    0.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1216    1.3134   -1.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5716    0.4956   -0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1773   -0.9372    0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1356    1.4632   -1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022    1.5349   -1.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5484   -1.5927    1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615   -1.6811    1.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8197   -0.6228    0.8656 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