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
   -3.2060   -0.7399   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179    0.3175    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9613    0.2302   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -0.9777   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0782   -1.0470   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8468    0.0723   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    1.2857   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1726    1.3727    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039    0.0391   -0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559   -1.0312   -0.2520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2960   -0.5882    0.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8689   -1.7572   -0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593    1.3013    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8581   -1.9276   -0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5624   -2.0225   -0.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    2.1838   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782    2.3390    0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747    0.9497   -0.1389 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