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
   -3.2214   -0.5471    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545    0.3547   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185    0.2387    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1360    1.2778   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274    1.1388   -0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8373    0.0281    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0441   -0.9937    0.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -0.9007    0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864   -0.0879    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161   -1.1055    0.7478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026   -0.3957    0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975   -1.4613    0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657    1.2803   -0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6154    2.1513   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511    1.9524   -0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4927   -1.8903    1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9392   -1.7320    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9348    0.6920   -0.1051 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