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
   -3.2580   -0.6012   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4092    0.4119    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9548    0.2365    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281    1.3407    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554    1.2611    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8664    0.0290    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0622   -1.0840   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366   -0.9830   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115   -0.1243   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -1.2601   -0.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9456   -1.6305   -0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3119   -0.3473   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7775    1.4478    0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5886    2.3317    0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    2.1583    0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.0627   -0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9507   -1.8678   -0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9673    0.7439    0.0520 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