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
    3.3682    1.0673    0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708   -0.0421    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2353   -0.0356    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093    1.1140   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8889    1.0506   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5706   -0.1432   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8392   -1.3058   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5365   -1.2517    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0326   -0.1882   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6664    0.8963   -0.3093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7441   -1.3508   -0.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877    2.0681    0.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4713    1.0372    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1885   -0.9964    0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105    2.0647   -0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    1.9840   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486   -2.2797   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817   -2.2000    0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5313   -1.4887   -0.8362 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