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
    3.2299   -0.6729   -0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963   -0.0714    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9446    0.0166    0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3337   -0.5516   -0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585   -0.4494   -0.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8510    0.2121   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.7787    1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1442    0.6791    1.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022    0.3088   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0511    0.8935    0.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2735   -0.6873   -0.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8791   -1.1555   -1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307    0.4090    1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9176   -1.0816   -1.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5341   -0.8997   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8442    1.3081    1.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534    1.1190    2.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7369   -0.1556   -1.1449 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