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
    3.1685    0.6929    0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810   -0.3515    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9570   -0.2371    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3024    0.9549   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624    1.0708   -0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8108   -0.0673   -0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822   -1.2786   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1696   -1.3994    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2543    0.0280   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8098    1.1377   -0.6278 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.6756    0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529    0.5534    0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442   -1.3441    0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8478    1.9118   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5277    2.0603   -0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955   -2.1867   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6423   -2.3747    0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8773   -0.8461   -0.5006 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