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
   -3.2242   -0.2981    0.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4085    0.1415   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9711    0.0882   -0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1531    0.5784   -1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    0.5550   -1.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8590    0.0394   -0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599   -0.4403    0.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -0.4177    0.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3013   -0.0076    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538   -0.4795    1.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8292   -0.7167    1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2905   -0.2448    0.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274    0.5712   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6570    0.9879   -2.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    0.9359   -1.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179   -0.8485    1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.8180    1.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9064    0.3737   -0.7133 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