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
   -3.4992    0.4610    0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962   -0.2525   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -0.1796   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623   -0.9846   -0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -0.9423   -0.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5899   -0.1227   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8289    0.6743    0.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699    0.6374    0.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468   -0.1118    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077   -0.8528   -0.7579 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7444    0.7034    0.8837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5853    0.3863    0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1154    1.1397    1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328   -0.9371   -0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9707   -1.6447   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430   -1.5680   -1.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311    1.3285    1.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267    1.2776    1.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7023    0.9878    0.7207 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