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
    3.2477    0.4503    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3533   -0.5058    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202   -0.2757    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048    0.9935   -0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789    1.1304   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8291    0.0557   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2848   -1.1956    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0679   -1.3742    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2753    0.2464   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7792    1.3658   -0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9845    1.4805   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2916    0.2003    0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170   -1.5198    0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0185    1.8730   -0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4258    2.1264   -0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9821   -2.0454    0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704   -2.3854    0.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9207   -0.6204   -0.0904 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