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
   -3.5023    0.4099   -0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6388   -0.5549   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1961   -0.3545   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6064    0.8592   -0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7641    0.9919   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -0.0679   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0067   -1.3124    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3658   -1.4340    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372    0.1134   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8113   -0.8488    0.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5763    1.3531   -0.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2373    1.4481   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5571    0.1650   -0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0183   -1.5529   -0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2412    1.7225   -0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    1.9832   -0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6703   -2.1419    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7683   -2.4378    0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4689    1.6589    0.1820 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