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
    3.2831   -0.1543   -0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3687    0.4728    0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372    0.2507    0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    0.9466    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3471    0.7671    0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -0.1424   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -0.8462   -0.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -0.6442   -0.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2968   -0.3261   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7422   -1.1485   -1.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3437    0.0630   -0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0720   -0.8831   -1.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6685    1.2050    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3744    1.6667    1.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0551    1.3268    1.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3225   -1.5650   -1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0942   -1.2112   -1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9900    0.2224    0.4163 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