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
    3.2467    0.4281    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3539   -0.2719   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308   -0.1738   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079   -0.9381   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415   -0.8572   -0.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -0.0223    0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9465    0.7286    0.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950    0.6347    0.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630    0.0553    0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6551    0.8255    1.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429    1.1246    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2886    0.3232   -0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6953   -0.9306   -1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3921   -1.5872   -1.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0614   -1.4430   -1.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160    1.3844    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0607    1.2431    1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9928   -0.5234   -0.0424 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