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
   -1.7776   -2.7537    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8937   -2.1353   -0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3236   -0.8628   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056   -0.2710   -1.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1738    0.9354   -0.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8424    1.6026    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0762    1.0462    1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6242   -0.1713    0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4462    2.8921    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2767    3.3849   -0.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2011   -3.7285   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1457   -2.3677    0.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6064   -2.6305   -1.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.7616   -2.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8985    1.3912   -1.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    1.5923    2.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441   -0.5750    1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    3.4127    1.4567 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