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
   -3.2386    0.0989   -0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3762   -0.0804    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9443   -0.0452    0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4012    0.1745   -0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908    0.1958   -1.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600    0.0029   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047   -0.2167    1.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662   -0.2415    1.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3084    0.0339   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1381   -0.1329    0.6175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0128    0.2830   -1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3030    0.0627   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7449   -0.2617    1.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0398    0.3302   -1.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997    0.3719   -2.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9609   -0.3721    2.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -0.4135    2.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6794    0.2104   -1.2846 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