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
    3.5855    0.0680    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422    0.8513    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1635    0.4008    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1406    1.2988   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894    0.9572    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5189   -0.3543    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5268   -1.2707    0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8210   -0.9053    0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9280   -0.7254    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -1.9199    0.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9414    0.1785    0.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4664   -0.9743    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5939    0.4243    0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7543    1.9104   -0.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    2.3288   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9972    1.6628   -0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7975   -2.3094    0.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5684   -1.6506    0.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8735    0.0289    0.6501 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