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
   -3.5024   -0.2905    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4735   -0.7438    0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1322   -0.4180    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790   -0.9356    1.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.6410    0.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4996    0.1327   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531    0.6345   -1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852    0.3652   -0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724    0.4114   -0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959    1.1309   -1.7007 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9632   -0.0636   -0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    0.3299   -0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5051   -0.5673    0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535   -1.3696    1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061   -1.5463    1.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296   -1.0575    1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6289    1.2607   -1.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764    0.7911   -1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120   -0.0795   -0.3510 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