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
    3.2003    0.4074    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022   -0.3073   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687   -0.1779   -0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1923   -1.0010   -1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1806   -0.9220   -1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564   -0.0203   -0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990    0.7935    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2991    0.7204    0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3060    0.0955   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8913    0.9252    0.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200    1.1530    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2924    0.3030    0.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8553   -1.0558   -0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005   -1.7047   -1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7741   -1.5782   -1.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5781    1.5171    1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516    1.3918    1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8969   -0.5398   -0.9478 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