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
    3.2717    0.1998    0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3677   -0.2633   -0.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447   -0.1425   -0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4189    0.4588    0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444    0.5438    1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637    0.0396    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3397   -0.5675   -0.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044   -0.6588   -1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994    0.1252    0.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7220    0.6820    1.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3365    0.1096    0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0338    0.6956    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799   -0.7498   -1.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1119    0.8777    1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3364    1.0250    1.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0713   -0.9720   -1.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4169   -1.1303   -2.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0094   -0.2728   -0.3299 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