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
   -3.3538    0.5052    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6873    0.1291   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2508    0.0321   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199   -0.3754   -1.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7544   -0.4731   -1.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5562   -0.1711   -0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9262    0.2286    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4721    0.3305    0.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140   -0.2796   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5891   -0.6473   -1.4418 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7491    0.0330    0.7220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4347    0.5637    0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8762    0.7698    1.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2582   -0.1264   -1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2430   -0.6196   -2.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2432   -0.7906   -2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185    0.4788    1.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890    0.6537    1.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7342   -0.2415    0.8478 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