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
    3.2497   -0.1167    0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2580   -0.8447   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920   -0.3946   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -1.2314   -0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4180   -0.8888   -0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8153    0.3458   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8584    1.1887    0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4682    0.8258    0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102    0.7370   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5394    1.8612    0.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    0.8753    0.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757   -0.4909    0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5131   -1.8297   -0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2357   -2.2171   -0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610   -1.5815   -1.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    2.1686    0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153    1.5064    0.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9609    0.0867   -0.6820 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