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
   -3.1103    0.9172   -0.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047   -0.1508   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9747   -0.1095   -0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2869   -1.3026    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0615   -1.3420    0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8151   -0.1944    0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1601    0.9772    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2079    1.0319   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2664   -0.2223    0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8721   -1.2873    0.8702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1956    0.8579   -0.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144    1.8749   -0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200   -1.0995   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964   -2.2200    0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5506   -2.2917    0.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7306    1.8909    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6884    1.9815   -0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8428    0.6887    0.5784 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