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
   -3.1686   -0.8401   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019    0.2108   -0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9524    0.1601   -0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.9721    0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0754   -0.9574    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8388    0.1777    0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835    1.3255   -0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1808    1.2995   -0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.1566    0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8253   -0.9104    0.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2278   -0.7380   -0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412   -1.8211    0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8298    1.1525   -0.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416   -1.8882    0.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -1.8666    0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    2.2103   -0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6769    2.2222   -0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8339    1.0788    0.2831 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