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
   -3.2655    1.1652    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6922    0.0107    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2544   -0.0826    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6851   -1.3584    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -1.4813   -0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948   -0.3948   -0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760    0.8657   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013    0.9869    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299   -0.5235   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3782   -1.6887   -0.6049 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.5806   -0.5058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091    2.0720    0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3298    1.2178    0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3177   -0.8806    0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -2.2238    0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1348   -2.4579   -0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305    1.7072   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7760    1.9864    0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7588    0.4989   -0.7645 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