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
   -3.5293    0.1023   -0.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6120    0.5538    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044    0.2729    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410    0.7892    0.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321    0.5337    0.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5464   -0.2404   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6806   -0.7602   -0.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7059   -0.5098   -0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9725   -0.5432   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4383   -1.2598   -1.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9013   -0.0441    0.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5628    0.3560   -0.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2557   -0.5202   -1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9460    1.1883    0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7479    1.4044    1.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6920    0.9494    1.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -1.3742   -1.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3364   -0.9470   -1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922    0.0489    0.4709 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