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
    3.2958   -0.3824    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3658    0.5002   -0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320    0.2857   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0446    1.3149   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3238    1.1217   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8296   -0.1072    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984   -1.1688    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3805   -0.9355    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2575   -0.3144    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0593    0.6302   -0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3584   -0.1093    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141   -1.3949    0.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6929    1.5232   -0.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329    2.3088   -0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278    1.9291   -0.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3697   -2.1597    0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -1.7706    0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7040   -1.2710    0.3183 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