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
    3.2608   -0.0558    0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    0.0657   -0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.0364   -0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0361    0.1694   -1.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3293    0.1496   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -0.0063    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9819   -0.1383    1.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3975   -0.1186    0.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3015   -0.0334    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8087   -0.1727    1.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451   -0.1857    1.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3344   -0.0288    0.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245    0.1907   -1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650    0.2908   -2.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177    0.2540   -2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3776   -0.2627    2.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0652   -0.2276    1.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9809    0.0732   -0.5287 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