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
    3.5544    0.3129    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2549    0.5515    0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3288   -0.3938   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   -1.4446   -0.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1203   -0.2289   -0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7078    0.8801    0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0955    0.9842    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8814    0.0196   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2639   -1.0778   -0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121   -1.2045   -0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659   -0.5769   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116    1.0401    0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563    1.4350    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1341    1.6617    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5523    1.8587    0.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9719    0.0913   -0.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9006   -1.8226   -1.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340   -2.0859   -1.2361 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