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
   -3.7027   -0.3447   -0.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0424    0.3961    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.3067    0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9719    1.1372    1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947    1.0566    1.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008    0.2183    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470   -0.5829   -0.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8393   -0.5476   -0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485    0.1740    0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1729    0.9357    1.4492 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4662   -0.7388   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2081   -1.0374   -1.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862   -0.2534   -0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5688    1.1149    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5614    1.8307    1.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8908    1.6952    1.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.2640   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2744   -1.2074   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9985   -1.7276   -0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4549   -0.8646    0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380   -0.2971   -1.2302 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