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
   -3.5163    0.3590    0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122   -0.5980    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891   -0.3568    0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    0.8990    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    1.0721   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5758   -0.0213   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222   -1.2608   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3312   -1.4342    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350    0.1515   -0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7872   -0.8493   -0.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    1.3981   -0.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2374    1.4079    0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5618    0.0526    0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9605   -1.6292    0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2622    1.7759    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669    2.0623   -0.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6698   -2.1494   -0.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7318   -2.4597    0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230    1.5804   -0.8949 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