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
   -3.2705    0.4515    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031   -0.3882   -0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628   -0.2165   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3498    0.8265    0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0362    0.9517    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683    0.0237    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2555   -1.0281   -0.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1160   -1.1494   -0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3213    0.1349    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8571    1.0939    0.6594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3398    0.2269    0.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9607    1.3376    0.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7658   -1.2549   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699    1.5722    0.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5060    1.7775    1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9089   -1.7630   -1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5723   -2.0003   -1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9573   -0.5959   -0.4059 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