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
   -3.4886    0.2649   -0.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6753   -0.4516   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316   -0.2734   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3994   -1.0642    0.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509   -0.9190    0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5578    0.0137   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726    0.8077   -0.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931    0.6499   -0.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162    0.1343   -0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230   -0.5930    0.6210 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6514    1.0555   -0.9123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328    1.0116   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5474    0.0909   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311   -1.2213    0.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318   -1.8049    1.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5706   -1.5392    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2504    1.5302   -1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006    1.3007   -1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387    1.0071   -1.1632 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