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
   -3.2584    0.3598    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4035    0.0218   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588   -0.0190   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3556    0.2976    0.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0153    0.2624    1.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486   -0.1023    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2555   -0.4206   -1.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1078   -0.3876   -1.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2944   -0.1512    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0205   -0.4864   -0.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3273    0.3732    0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9454    0.6413    1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7987   -0.2402   -1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9435    0.5931    1.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4699    0.5182    2.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9462   -0.7082   -1.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5286   -0.6460   -2.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    0.0943    1.1699 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