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
   -3.4917    0.3203    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6914    0.2061   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2469    0.0877   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4954   -0.0285   -1.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8783   -0.1432   -1.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5821   -0.1496   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8503   -0.0358    1.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5466    0.0814    1.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0396   -0.2713   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610   -0.2751    1.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835   -0.3861   -1.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5677    0.4058    0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0636    0.3287    1.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1608    0.2020   -1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527   -0.0236   -2.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4436   -0.2327   -2.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926   -0.0398    2.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0876    0.1694    2.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7733   -0.2157   -1.2402 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