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
   -3.2244   -0.3753   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3363    0.5226    0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9288    0.2809    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258    1.2769    0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    1.1244    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8132   -0.1021   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9305   -1.0975   -0.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -0.9310   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730   -0.3208   -0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660    0.5993    0.1188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2746   -0.1566    0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9644   -1.3541   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816    1.5066    0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4214    2.2496    0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0355    1.9157    0.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3073   -2.0656   -0.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661   -1.7839   -0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6107   -1.2891   -0.5026 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