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
   -3.2529   -0.1168   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -0.4585   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8260   -0.3244   -0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2200   -0.7323   -1.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5227   -0.6145   -0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7599   -0.0818    0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251    0.3166    1.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822    0.1971    0.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1282    0.0467    0.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0935   -0.3094    0.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2309    0.3063    0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2248   -0.2560   -0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3451   -0.8787   -1.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094   -1.1421   -2.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724   -0.9217   -1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859    0.7374    2.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3779    0.5147    1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3102    0.4593    1.8546 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