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
   -3.5144    0.7229    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6572    0.0613   -0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2288    0.0072   -0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073    0.6447    0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7746    0.5688    1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -0.1603    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9747   -0.8091   -0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830   -0.7295   -1.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0261   -0.2444    0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5373    0.3494    1.3834 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8216   -0.9742   -0.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1591    1.2707    1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5751    0.7290    0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0511   -0.4895   -1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2159    1.2368    1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    1.0825    1.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781   -1.3972   -1.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -1.2399   -1.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7568   -0.6290   -0.6840 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