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
   -3.1201   -0.0755   -1.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    0.0075    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9960    0.0080    0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -0.0763   -1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   -0.0724   -0.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8447    0.0182    0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0436    0.1036    1.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3293    0.0994    1.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052    0.0238    0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9037    0.1038    1.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6155   -0.1473   -2.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1975   -0.0774   -1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0444    0.0777    0.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -0.1494   -2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8237   -0.1401   -1.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384    0.1755    2.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9748    0.1664    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8810   -0.0455   -0.5225 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