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
    3.2691   -0.3924   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3526    0.5182    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9248    0.2487    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758    1.3205    0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2780    1.1264    0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8370   -0.0941   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9786   -1.1254   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070   -0.9911   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2887   -0.2803   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0896    0.6520    0.1943 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310   -0.1619   -0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9513   -1.3938   -0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169    1.5149    0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    2.3056    0.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9705    1.9419    0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3827   -2.1061   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0382   -1.8410   -0.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7277   -1.2420   -0.2760 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