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
   -3.5219    0.2012    0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545   -0.3756    1.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1117   -0.1952    0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552    0.6220   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423    0.7494   -1.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972    0.0901   -0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039   -0.7020    0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659   -0.8677    1.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.2647   -0.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0522    1.0081   -1.9459 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402   -0.3713   -0.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4722    0.8606   -0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4801    0.0147    1.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5723   -1.0286    1.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6734    1.1496   -1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5974    1.4109   -1.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0305   -1.2290    1.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -1.5089    1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8762   -0.0928   -0.6859 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