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
   -3.4524   -0.7647    0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698   -0.1632   -0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2238   -0.0251   -0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728   -0.5320    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8085   -0.3910    0.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    0.2485   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163    0.7532   -1.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471    0.6159   -1.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.3936    0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7177    0.9789   -0.7652 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807   -0.1151    1.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960   -0.8263    0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0978   -1.2135    1.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1011    0.2647   -1.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1027   -1.0539    1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333   -0.7880    1.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4974    1.2696   -1.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9433    1.0223   -2.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5632    0.3261    1.4989 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