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
    3.5555   -0.4160   -0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462   -0.2514   -0.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3425   -0.1740    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082   -0.2632    1.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015    0.0047    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9253    0.0728    1.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2914    0.2404    1.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9087    0.3496    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048    0.2838   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7174    0.1137   -0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2692   -0.4796   -1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -0.4896    0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8786   -0.1785   -1.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4264   -0.0150    2.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8979    0.2882    2.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9815    0.4813   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    0.3659   -2.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194    0.0668   -1.8619 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