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
    2.8379   -0.6041    1.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757   -0.3327    0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9797   -0.1244    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5443    0.1647   -1.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7819    0.3710   -1.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453    0.3006   -0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3192    0.0170    0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334   -0.1953    1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592    0.5204   -0.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5131    0.7772   -2.0371 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940   -0.6871    2.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8948   -0.7565    1.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1294   -0.2720   -0.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3162    0.2167   -1.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    0.5973   -2.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0524   -0.0442    1.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2844   -0.4154    2.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9136    0.4669   -0.1029 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