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
   -3.2300   -0.4754    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299    0.3383    0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9305    0.1733    0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    1.0722    0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3431    0.9688    0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8460   -0.0050   -0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303   -0.8849   -0.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4347   -0.7999   -0.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2652   -0.0985   -0.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0382    0.7397   -0.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0266   -1.2839   -0.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979   -0.3639    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6717    1.1218    1.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986    1.8352    1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0405    1.6683    0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2813   -1.6565   -1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1269   -1.5072   -0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990   -0.8425   -1.2531 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