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
    3.2662    0.2893   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382   -0.6346   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9301   -0.3165   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0149   -1.3845   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358   -1.1446   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8291    0.1368   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9348    1.1817   -0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4255    0.9631   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    0.4032   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7236    1.5657   -0.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3268    0.0493   -0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9807    1.3101   -0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6662   -1.6603   -0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3737   -2.3901   -0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -1.9910   -0.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    2.2052   -0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0899    1.8298   -0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9611   -0.4125   -0.2956 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