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
    3.0070    0.0781    0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4702   -0.7387   -0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286   -0.9283   -0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272   -1.9101   -1.7734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1093   -0.2862   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    0.7376    0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5092    1.2820    0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6553    0.8399    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -0.1904   -0.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886   -0.7387   -1.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1202    0.0033    0.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5951    0.8464    0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2385   -1.4314   -0.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5731    1.1736    0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5772    2.0927    1.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6074    1.2886    0.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4252   -0.5572   -1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130   -1.5612   -1.8668 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