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
   -3.2028    0.4727    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3774   -0.2945   -0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9419   -0.1809   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4025    0.7455    0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808    0.8095    0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8372   -0.0087    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374   -0.9164   -0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1122   -1.0308   -0.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2768    0.0877    0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0360   -0.6608   -0.4229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8435    1.2159    0.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2858    0.3514    0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7559   -1.0496   -1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538    1.4298    1.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4506    1.5299    1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165   -1.5562   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5506   -1.7544   -1.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    0.8098    0.8987 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