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
    3.2730    0.4823    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088   -0.2895   -0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9565   -0.1799   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.7478    0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0498    0.8370    0.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8589   -0.0255    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451   -0.9586   -0.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219   -1.0519   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3192    0.0295    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8643    0.8840    0.8719 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9101    1.2382    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3501    0.3741    0.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8319   -1.0478   -0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9374    1.4457    1.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5019    1.5809    1.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9030   -1.6374   -1.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5813   -1.7941   -1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9717   -0.6349   -0.4093 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