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
    3.8700   -0.1559    0.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782   -0.5551   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616   -0.2536   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0991    0.4785    0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546    0.7260    1.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271    0.2620    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993   -0.4751   -0.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492   -0.7175   -1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5598    0.5469    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9778    1.2186    1.2201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5631    0.0926   -0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232    0.4141    1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073   -0.4073    0.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2600   -1.1437   -1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640    0.8614    1.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6489    1.3110    1.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3695   -0.8516   -1.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0443   -1.2955   -1.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4225    0.7856   -0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9405   -0.8950   -0.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1937    0.0536   -1.7801 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