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
    3.5986   -0.0486    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2922   -0.2116    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3052    0.3115   -0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6819    0.9367   -1.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1071    0.1385   -0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036    0.6514   -1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3775    0.5281   -1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8835   -0.1427    0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130   -0.6619    1.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393   -0.5166    0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    0.4681   -0.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2872   -0.4520    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9559   -0.7402    1.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6670    1.1892   -2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0771    0.9307   -1.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9421   -0.2614    0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3978   -1.1825    1.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0111   -0.9366    1.5866 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