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
   -3.4843   -0.7283    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6912    0.2988    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520    0.1498    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392    1.2946    0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9260    1.2124    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781    0.0128   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7853   -1.1100   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -1.0457   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0216   -0.0918   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209   -1.2312   -0.4918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8695    0.9963   -0.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1244   -1.7242    0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5472   -0.5872    0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1118    1.3015    0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9485    2.2464    0.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    2.1032    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670   -2.0732   -0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839   -1.9481   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8778    0.9240   -0.1363 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