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
   -3.1218    1.0395    0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4307   -0.0078   -0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -0.0547   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2226    0.9829    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1564    0.8554    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8231   -0.2821    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0783   -1.3329   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885   -1.2092   -0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2776   -0.4003    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666   -1.4446   -0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    1.9027    0.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1988    1.0885    0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9857   -0.8562   -0.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703    1.8932    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361    1.6653    0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5987   -2.2277   -0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8818   -2.0177   -0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8800    0.4055    0.5395 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