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
    3.1289   -0.9707   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854    0.0486   -0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9456    0.1003   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458    1.2349   -0.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    1.3181   -0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308    0.2689    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101   -0.8335    0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659   -0.9468    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    0.3374    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9626   -0.5730    0.6693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206   -0.9555   -0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7513   -1.8693    0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9032    0.8974   -0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    2.0694   -1.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6984    2.1755   -0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336   -1.6733    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7676   -1.8515    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7769    1.2230   -0.1869 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