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
   -2.8934    1.2059    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987    0.4294    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.1334   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0596    0.6401    0.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970    0.3334    0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770   -0.4932   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416   -1.0198   -1.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4921   -0.7146   -1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1965   -0.8271   -0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610   -1.5892   -1.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870    1.6725    1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9537    1.4039    0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604   -0.0305   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819    1.3146    1.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.7729    1.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   -1.6855   -1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2346   -1.1201   -1.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027   -0.4262    0.2922 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