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
    3.0256    0.7614    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211   -0.3787    0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -0.9476    0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720   -2.2077    0.7833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0823   -0.4113    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519    0.8706   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440    1.3359   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7238    0.5037   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -0.7795   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2182   -1.2263    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1298    0.8907    0.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397    1.6390   -0.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318   -1.1282    0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    1.5539   -0.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7907    2.3649   -0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7091    0.8883   -0.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172   -1.4638    0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0607   -2.2652    0.5512 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