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
   -3.1675   -0.0952    0.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030    0.7543    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274    0.3492    0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0259    1.2941   -0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    0.9756   -0.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7904   -0.2876   -0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171   -1.2198    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206   -0.8957    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889   -0.6179   -0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9569    0.2546   -1.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837   -1.0973    1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888    0.2612    1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6114    1.8020    0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3928    2.2936   -0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9903    1.6986   -1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691   -2.2157    0.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0675   -1.6570    0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5905   -1.5971   -0.5088 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