Monomers

1-(4-Vinylphenyl)ethanone

Identifiers

IUPAC name
1-(4-ethenylphenyl)ethanone
InchI
InChI=1S/C10H10O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H,1H2,2H3
InchI Key
HDXVSRDSYNPSAE-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O
Heavy Atom Count
11
Molecular Weight
146.189
Exact Molecular Weight
146.0732
Valence Electrons
56
Radical Electrons
0
tPSA
17.07
MolLogP
2.5322
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

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.6488    1.6138   -2.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6397    1.2067   -1.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4727    0.6205   -0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5323    0.2083    0.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -0.3487    1.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7731   -0.5203    0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8422   -0.1214   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2843    0.4450   -1.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9063   -1.1213    1.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -1.4711    2.7066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125   -1.3404    0.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8005    1.5375   -2.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    2.0431   -2.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5451    1.2981   -0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617    0.3328    1.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847   -0.6576    2.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7644   -0.2434   -1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1773    0.7534   -2.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1573   -1.4891   -0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6809   -2.2491    1.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8940   -0.4967    1.1411 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers