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
    3.2482   -0.7173   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.2106   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640    0.1406   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -0.8989    0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0524   -0.9156    0.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610    0.1095    0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2281    1.1557   -0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1365    1.1682   -0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3074    0.0834    0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883    1.0395   -0.0713 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8847   -1.5971    0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142   -0.6372   -0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8236    1.0650   -0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9085   -1.7224    0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550   -1.7359    1.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409    1.9698   -0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    1.9983   -1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8249   -0.7162    0.8537 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