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
   -3.3935   -0.8949   -0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7150    0.1955   -0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713    0.1856   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107   -0.9513   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8807   -0.9307   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491    0.2617    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8180    1.4244    0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5538    1.3757    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    0.2837    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5858    1.3861    0.3572 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844   -0.8414    0.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9455   -1.8456   -0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4735   -0.8485   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2266    1.1424   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832   -1.9128   -0.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265   -1.8590   -0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3498    2.3633    0.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1407    2.2735    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8133   -0.8077    0.0519 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