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
    3.2568    0.2085   -0.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3911    0.3053    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356    0.1355    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736   -0.1396   -1.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097   -0.2943   -1.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8608   -0.1764   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2834    0.0999    1.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793    0.2519    1.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3024   -0.3390   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445   -0.5900   -1.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9906   -0.0024   -1.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3036    0.3436   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7725    0.5242    1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048   -0.2374   -1.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382   -0.5113   -2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630    0.1930    1.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5281    0.4685    2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9340   -0.2400    0.5715 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