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
    3.5864    0.0180   -0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2911    0.3442   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2559   -0.6498   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -1.8781    0.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417   -0.2683    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    1.0406   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9051    1.3683   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8120    0.3573    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4592   -0.9730    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236   -1.2672    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3622    0.7354   -0.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8357   -1.0237   -0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0271    1.3885   -0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1533    1.8712   -0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1926    2.4220   -0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8887    0.5757    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2114   -1.7700    0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7951   -2.2912    0.2197 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