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
    3.5884    0.3362   -0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653   -0.5674    0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144   -0.2889    0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046    0.9639   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677    1.1760   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5847    0.1655   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0631   -1.0911    0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2986   -1.3020    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0220    0.4123   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4161    1.5811   -0.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9677   -0.5759    0.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254    1.3659   -0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6297    0.0320   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -1.6020    0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3761    1.8088   -0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0840    2.1685   -0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7806   -1.8978    0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6995   -2.2976    0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9103   -0.3875    0.4674 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