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
   -3.9714    0.2133    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9866   -0.5844   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5762   -0.2371   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1293    0.9446    0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2282    1.2303    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871    0.3326    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570   -0.8591   -0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929   -1.1340   -0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6168    0.6125    0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0299    1.6966    0.7929 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980   -0.3964   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9828   -0.1054   -0.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966    1.1764    0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2124   -1.5590   -0.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8600    1.6654    0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5308    2.1747    1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5196   -1.5780   -0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8929   -2.0831   -0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067   -1.2867    0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471   -0.8071   -1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5800    0.0688   -0.2516 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