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
    3.4933   -0.8104   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2571   -0.4494    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117   -0.4248   -0.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5078   -0.7645   -1.9756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1381   -0.0286   -0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1055   -0.0252   -1.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4001    0.3482   -1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772    0.7267    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8150    0.7179    1.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113    0.3465    0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328   -0.8141    0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7307   -1.0942   -1.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594   -0.1672    1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543   -0.3161   -2.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1745    0.3615   -1.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8124    1.0178    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0923    1.0102    2.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877    0.3656    1.6276 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