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

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
   -3.2539    0.2380   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594   -0.2308    0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9427   -0.1299    0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0134   -0.6407    1.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3438   -0.5635    0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8537    0.0228   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410    0.5329   -1.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159    0.4522   -0.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2873    0.1133   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0894   -0.3519    0.4245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3173    0.1517   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341    0.7293   -1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6852   -0.6995    1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4284   -1.1009    2.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286   -0.9758    1.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3183    1.0074   -1.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560    0.8661   -1.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6441    0.5794   -1.3118 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