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
   -2.2770    0.1223    3.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095   -0.7094    2.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1525   -0.5168    1.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3063    0.5637    0.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918    0.7326   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833   -0.2040   -1.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1462   -1.3091   -1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321   -1.4483    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369   -0.0257   -2.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6984   -0.8928   -3.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4961    1.1566   -2.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0030   -0.0776    3.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6817    1.0154    3.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7248   -1.5977    2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391    1.3453    1.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403    1.6240   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480   -2.0271   -1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6892   -2.3137    0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.0878   -2.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2928    1.1002   -2.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9574    1.3745   -1.1942 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