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
    3.1508   -0.8252   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384    0.0796    0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9177    0.0884    0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.8641   -0.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087   -0.7873   -0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7947    0.2061   -0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2165    1.1583    0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1304    1.0863    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2175    0.2793   -0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7860   -0.5772   -1.3636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1962   -0.7758    0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252   -1.6155   -0.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7108    0.8832    1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252   -1.6829   -1.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590   -1.5484   -1.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8016    1.9724    0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598    1.8640    1.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8152    1.0590   -0.2013 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