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
    3.2284    0.5024    0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717   -0.3180   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9315   -0.1640   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3908    0.8334    0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9950    0.8757    0.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8358   -0.0322    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822   -1.0263   -0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787   -1.0918   -0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2906    0.0474    0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8128    0.9457    1.1404 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9285    1.3116    0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823    0.3694    0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140   -1.1501   -0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0243    1.5614    1.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768    1.6683    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394   -1.7647   -1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -1.8842   -1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9164   -0.6840   -0.0502 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