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
   -3.2625    0.5750    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054   -0.3134   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584   -0.2032   -0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1490   -1.2199   -0.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229   -1.1261   -0.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754   -0.0367   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    0.9732    0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107    0.8809    0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327    0.0277   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8699    1.0342    0.4999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8740    1.4788    0.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3273    0.3861    0.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8249   -1.2262   -0.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6682   -2.0741   -1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270   -1.9367   -0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5248    1.8503    0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9072    1.6935    0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453   -0.7635   -0.4020 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