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
   -3.2151    0.0247   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4227   -0.0624    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9682   -0.0325    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556   -0.1298    1.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202   -0.1049    1.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8641    0.0186    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    0.1154   -1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162    0.0907   -1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3192    0.0479   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9854   -0.0446    0.9993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191    0.1266   -1.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3020   -0.0028   -0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8356   -0.1622    1.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.2273    2.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179   -0.1806    2.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5739    0.2128   -2.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9086    0.1694   -1.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8499    0.1412   -0.9752 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