Monomers

Acrylophenone

Identifiers

IUPAC name
1-phenylprop-2-en-1-one
InchI
InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
KUIZKZHDMPERHR-UHFFFAOYSA-N
SMILES
C=CC(=O)c1ccccc1
Canonical SMILES
C=CC(=O)C1=CC=CC=C1
Isomeric SMILES
C=CC(=O)C1=CC=CC=C1
Resources

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
2.0553
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
    3.5141   -0.5649    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228   -0.5860    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3114    0.2160   -0.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    0.9372   -1.4194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1129    0.2045   -0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6624   -0.5562    0.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289   -0.5466    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8572    0.2234    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3097    0.9844   -0.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546    0.9742   -0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2513   -1.1311    0.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8754    0.0577   -0.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9089   -1.2240    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -1.1865    1.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4462   -1.1607    1.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9330    0.2098    0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9770    1.5864   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5126    1.5624   -1.7737 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
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers