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
    3.2679   -0.0312    0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -0.7646   -0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238   -0.3589   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4810    0.7842    0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8776    1.0812    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8462    0.2772   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4033   -0.8699   -0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600   -1.1743   -0.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2723    0.6176    0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5921    1.6844    0.6456 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2923   -0.3499    0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0857    0.8944    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160   -1.6763   -0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1888    1.4535    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215    1.9909    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443   -1.5170   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929   -2.0702   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0461    0.0289   -0.3553 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