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
    2.5175    1.7639   -0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    0.5615   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4091   -0.4110   -0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -1.5239   -1.3188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589   -0.4206   -0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7710   -1.5543   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0845   -1.5956   -0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6530   -0.5166    0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8776    0.5892    0.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5352    0.6308    0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185    2.2785   -0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8148    2.3867    0.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639    0.2644   -1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -2.3976   -1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790   -2.4918   -0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6839   -0.5439    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.4265    1.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0574    1.5539    0.5686 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