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
    3.1242   -0.5360    0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068    0.2527    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745    0.1485   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3081    1.0527   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0535    0.9814   -0.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8327    0.0747   -0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1620   -0.8075    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2253   -0.7699    0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2886    0.0229   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9225   -0.8365    0.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -1.2953    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002   -0.4611    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9079    1.0089   -0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643    1.8093   -1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5507    1.6944   -1.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7078   -1.5440    1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074   -1.4829    1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8544    0.6877   -0.9991 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