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
   -3.1719   -0.5761    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475    0.4097    0.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    0.2745    0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493    1.3152    0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2884    1.1905    0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368    0.0327   -0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9537   -0.9985   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4132   -0.8940   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536   -0.1213   -0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914   -1.2095   -1.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9193   -1.5512   -0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2257   -0.4306    0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7282    1.3403    0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4903    2.2341    0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9439    2.0295    0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3425   -1.9269   -0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0067   -1.7739   -0.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9765    0.6554   -0.4208 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