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
    3.2296    0.5048   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909   -0.1465    0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538   -0.1094    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3445    0.6124   -0.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383    0.6097   -0.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8563   -0.1002   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403   -0.8173    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1302   -0.8329    1.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3054   -0.0894   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8522    0.5737   -1.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3013    0.4396   -0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702    1.1283   -1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7751   -0.7349    1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725    1.1749   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4783    1.1939   -1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9060   -1.3762    1.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5832   -1.3970    1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9744   -0.6333    0.4241 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