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
   -3.1768    0.7588    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018   -0.1716    0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9227   -0.0557    0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176    0.9899   -0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9193    1.0536   -0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052    0.0569   -0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3098   -0.9944    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0161   -1.0558    0.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002    0.1487   -0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795   -0.7742   -0.4815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9764    1.6363   -0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2120    0.6033    0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6149   -1.0431    1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0596    1.7984   -0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597    1.9069   -1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0222   -1.7816    0.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3687   -1.8959    1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707    0.9723   -1.3932 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