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
    3.4793    0.2005   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5714   -0.6988   -0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1506   -0.4214   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6841    0.8563   -0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6885    1.0774   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    0.0618    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440   -1.2001    0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2967   -1.4904    0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    0.3130    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7685   -0.6365    0.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5463    1.5797    0.1361 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202   -0.0706   -0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2545    1.2401   -0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9337   -1.7301    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3147    1.7013   -0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668    2.0626   -0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7511   -2.0122    0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863   -2.4989    0.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4503    1.6662   -0.2694 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