Monomers

4-Vinylbenzaldehyde

Identifiers

IUPAC name
4-ethenylbenzaldehyde
InchI
InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h2-7H,1H2
InchI Key
QBFNGLBSVFKILI-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C=O
Canonical SMILES
C=CC1=CC=C(C=C1)C=O
Isomeric SMILES
C=CC1=CC=C(C=C1)C=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8O
Heavy Atom Count
10
Molecular Weight
132.162
Exact Molecular Weight
132.0575
Valence Electrons
50
Radical Electrons
0
tPSA
17.07
MolLogP
2.1421
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.2585    0.1942   -0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991   -0.1042    0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9423   -0.0648    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0951   -0.3923    1.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2879   -0.3738    1.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8715   -0.0189   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0350    0.3098   -1.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606    0.2909   -0.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3225    0.0137   -0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8545    0.3342   -1.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862    0.4946   -1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3131    0.1384   -0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7702   -0.3990    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668   -0.6759    2.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8924   -0.6425    2.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4822    0.5945   -2.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9915    0.5516   -1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371   -0.2503    0.6420 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
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers