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
   -3.1468    0.4927    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969    0.6300   -0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9018    0.2723   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307    0.4390   -1.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2915    0.1027   -1.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7906   -0.3902    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9339   -0.5530    1.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176   -0.2161    0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2114   -0.7456    0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456   -0.5760   -0.8268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9116    0.1222    1.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2094    0.7745    0.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6598    1.0189   -1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    0.8296   -2.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9863    0.2294   -2.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -0.9376    2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0435   -0.3684    1.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5760   -1.1244    1.0999 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